diff options
Diffstat (limited to 'metadata/md5-cache/sci-chemistry')
137 files changed, 1790 insertions, 0 deletions
diff --git a/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.0 b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.0 new file mode 100644 index 000000000000..b9c109d0bc6a --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.0 @@ -0,0 +1,14 @@ +BDEPEND=dev-python/six[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-)] dev-python/numpy[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-)] dev-python/matplotlib[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-)] sci-libs/numkit[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) python_targets_python3_5? ( dev-lang/python:3.5 ) python_targets_python3_6? ( dev-lang/python:3.6 ) python_targets_python3_7? ( dev-lang/python:3.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-)] +DEFINED_PHASES=compile configure install prepare test unpack +DESCRIPTION=Python framework for Gromacs +EAPI=7 +HOMEPAGE=https://gromacswrapper.readthedocs.io +IUSE=python_targets_python2_7 python_targets_python3_5 python_targets_python3_6 python_targets_python3_7 +KEYWORDS=~amd64 ~x86 +LICENSE=GPL-3 LGPL-3 +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) python_targets_python3_5? ( dev-lang/python:3.5 ) python_targets_python3_6? ( dev-lang/python:3.6 ) python_targets_python3_7? ( dev-lang/python:3.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 python_targets_python3_5 python_targets_python3_6 python_targets_python3_7 ) +SLOT=0 +SRC_URI=https://github.com/Becksteinlab/GromacsWrapper/archive/release-0.8.0.tar.gz -> GromacsWrapper-0.8.0.tar.gz +_eclasses_=distutils-r1 875cdbd904383003dd58e0ad4068470b eutils 6e6c2737b59a4b982de6fb3ecefd87f8 multibuild 40fe59465edacd730c644ec2bc197809 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 python-r1 d21193dfc088687e048e829419568096 python-utils-r1 93ff6f0f8518926f2951ca70ce36e887 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-snapshot b1abf460a493fc59ebb25de0df3f09dd +_md5_=2879923b3d6d9396b5a0d22423cbd384 diff --git a/metadata/md5-cache/sci-chemistry/MDAnalysis-0.18.0-r1 b/metadata/md5-cache/sci-chemistry/MDAnalysis-0.18.0-r1 new file mode 100644 index 000000000000..7b9c57e478aa --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/MDAnalysis-0.18.0-r1 @@ -0,0 +1,15 @@ +BDEPEND=dev-python/numpy[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-)] sci-libs/scipy[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-)] sci-biology/biopython[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-)] dev-python/networkx[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-)] dev-python/GridDataFormats[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-)] dev-python/netcdf4-python[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-)] dev-python/mmtf-python[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-)] dev-python/gsd[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-)] dev-python/mock[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-)] dev-python/duecredit[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-)] test? ( dev-python/nose[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-)] ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) python_targets_python3_5? ( dev-lang/python:3.5 ) python_targets_python3_6? ( dev-lang/python:3.6 ) python_targets_python3_7? ( dev-lang/python:3.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-)] +DEFINED_PHASES=compile configure install prepare test +DESCRIPTION=A python library to analyze and manipulate molecular dynamics trajectories +EAPI=7 +HOMEPAGE=https://www.mdanalysis.org +IUSE=test python_targets_python2_7 python_targets_python3_5 python_targets_python3_6 python_targets_python3_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=GPL-2 +RDEPEND=dev-python/numpy[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-)] sci-libs/scipy[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-)] sci-biology/biopython[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-)] dev-python/networkx[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-)] dev-python/GridDataFormats[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-)] dev-python/netcdf4-python[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-)] dev-python/mmtf-python[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-)] dev-python/gsd[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-)] dev-python/mock[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-)] dev-python/duecredit[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) python_targets_python3_5? ( dev-lang/python:3.5 ) python_targets_python3_6? ( dev-lang/python:3.6 ) python_targets_python3_7? ( dev-lang/python:3.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 python_targets_python3_5 python_targets_python3_6 python_targets_python3_7 ) +RESTRICT=!test? ( test ) +SLOT=0 +SRC_URI=mirror://pypi/M/MDAnalysis/MDAnalysis-0.18.0.tar.gz +_eclasses_=distutils-r1 875cdbd904383003dd58e0ad4068470b multibuild 40fe59465edacd730c644ec2bc197809 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 python-r1 d21193dfc088687e048e829419568096 python-utils-r1 93ff6f0f8518926f2951ca70ce36e887 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c +_md5_=5f1ea324a9eab474f3cfbfffe1029791 diff --git a/metadata/md5-cache/sci-chemistry/ParmEd-2.7.3 b/metadata/md5-cache/sci-chemistry/ParmEd-2.7.3 new file mode 100644 index 000000000000..85eb5e7f571d --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/ParmEd-2.7.3 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install prepare test unpack +DEPEND=dev-python/numpy[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] sci-libs/scipy[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) python_targets_python3_5? ( dev-lang/python:3.5 ) python_targets_python3_6? ( dev-lang/python:3.6 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] +DESCRIPTION=Parameter/topology editor and molecular simulator +EAPI=6 +HOMEPAGE=https://parmed.github.io/ParmEd/html/index.html +IUSE=python_targets_python2_7 python_targets_python3_5 python_targets_python3_6 +KEYWORDS=~amd64 ~x86 +LICENSE=LGPL-2 +RDEPEND=dev-python/numpy[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] sci-libs/scipy[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) python_targets_python3_5? ( dev-lang/python:3.5 ) python_targets_python3_6? ( dev-lang/python:3.6 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] +REQUIRED_USE=|| ( python_targets_python2_7 python_targets_python3_5 python_targets_python3_6 ) +SLOT=0 +SRC_URI=https://github.com/ParmEd/ParmEd/archive/2.7.3.tar.gz -> ParmEd-2.7.3.tar.gz +_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d distutils-r1 875cdbd904383003dd58e0ad4068470b epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 ltprune 2729691420b6deeda2a90b1f1183fb55 multibuild 40fe59465edacd730c644ec2bc197809 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 preserve-libs ef207dc62baddfddfd39a164d9797648 python-r1 d21193dfc088687e048e829419568096 python-utils-r1 93ff6f0f8518926f2951ca70ce36e887 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf vcs-snapshot b1abf460a493fc59ebb25de0df3f09dd xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=0f351899bad0ae3195b351a8d48fd874 diff --git a/metadata/md5-cache/sci-chemistry/ParmEd-3.0.3 b/metadata/md5-cache/sci-chemistry/ParmEd-3.0.3 new file mode 100644 index 000000000000..c8e79dc34037 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/ParmEd-3.0.3 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install prepare test unpack +DEPEND=dev-python/numpy[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] sci-libs/scipy[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) python_targets_python3_5? ( dev-lang/python:3.5 ) python_targets_python3_6? ( dev-lang/python:3.6 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] +DESCRIPTION=Parameter/topology editor and molecular simulator +EAPI=6 +HOMEPAGE=https://parmed.github.io/ParmEd/html/index.html +IUSE=python_targets_python2_7 python_targets_python3_5 python_targets_python3_6 +KEYWORDS=~amd64 ~x86 +LICENSE=LGPL-2 +RDEPEND=dev-python/numpy[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] sci-libs/scipy[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) python_targets_python3_5? ( dev-lang/python:3.5 ) python_targets_python3_6? ( dev-lang/python:3.6 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] +REQUIRED_USE=|| ( python_targets_python2_7 python_targets_python3_5 python_targets_python3_6 ) +SLOT=0 +SRC_URI=https://github.com/ParmEd/ParmEd/archive/3.0.3.tar.gz -> ParmEd-3.0.3.tar.gz +_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d distutils-r1 875cdbd904383003dd58e0ad4068470b epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 ltprune 2729691420b6deeda2a90b1f1183fb55 multibuild 40fe59465edacd730c644ec2bc197809 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 preserve-libs ef207dc62baddfddfd39a164d9797648 python-r1 d21193dfc088687e048e829419568096 python-utils-r1 93ff6f0f8518926f2951ca70ce36e887 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf vcs-snapshot b1abf460a493fc59ebb25de0df3f09dd xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=1e484926dcc0d5a5485348ee6f767187 diff --git a/metadata/md5-cache/sci-chemistry/apbs-1.4.1-r2 b/metadata/md5-cache/sci-chemistry/apbs-1.4.1-r2 new file mode 100644 index 000000000000..549f938df028 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/apbs-1.4.1-r2 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install prepare setup test +DEPEND=dev-cpp/eigen:3 dev-libs/maloc[mpi=] sys-libs/readline virtual/blas fetk? ( sci-libs/amd sci-libs/fetk sci-libs/superlu sci-libs/umfpack ) mpi? ( virtual/mpi ) python? ( python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] ) virtual/pkgconfig doc? ( app-doc/doxygen ) sys-devel/make >=dev-util/cmake-3.9.6 python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] +DESCRIPTION=Evaluation of electrostatic properties of nanoscale biomolecular systems +EAPI=6 +HOMEPAGE=https://www.poissonboltzmann.org/apbs/ +IUSE=debug doc examples fast +fetk iapbs mpi openmp python tools python_targets_python2_7 +KEYWORDS=amd64 ppc x86 ~amd64-linux ~x86-linux +LICENSE=BSD +RDEPEND=dev-cpp/eigen:3 dev-libs/maloc[mpi=] sys-libs/readline virtual/blas fetk? ( sci-libs/amd sci-libs/fetk sci-libs/superlu sci-libs/umfpack ) mpi? ( virtual/mpi ) python? ( python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] +REQUIRED_USE=iapbs? ( fetk ) mpi? ( !python ) python? ( tools fetk iapbs python_targets_python2_7 ) python_targets_python2_7 +SLOT=0 +SRC_URI=https://github.com/Electrostatics/apbs-pdb2pqr/archive/74fcb8676de69ed04ddab8976a8b05a6caaf4d65.zip -> apbs-1.4.1.zip +_eclasses_=cmake-utils a5d9146ee60641275d46a91aab93d02f desktop b1d22ac8bdd4679ab79c71aca235009d distutils-r1 875cdbd904383003dd58e0ad4068470b epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f preserve-libs ef207dc62baddfddfd39a164d9797648 python-single-r1 3a0fc81f484bfdbd9c2b7448015a36e4 python-utils-r1 93ff6f0f8518926f2951ca70ce36e887 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=b7b214fa754f69638687bac2d11fb805 diff --git a/metadata/md5-cache/sci-chemistry/aqua-3.2-r3 b/metadata/md5-cache/sci-chemistry/aqua-3.2-r3 new file mode 100644 index 000000000000..141f39b916d9 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/aqua-3.2-r3 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile install nofetch prepare setup +DEPEND=app-shells/tcsh virtual/fortran +DESCRIPTION=Program suite in this distribution calculates restraint violations +EAPI=6 +HOMEPAGE=http://www.biochem.ucl.ac.uk/~roman/procheck/procheck.html +IUSE=doc examples +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=procheck +RDEPEND=sci-chemistry/procheck virtual/fortran +RESTRICT=fetch +SLOT=0 +SRC_URI=aqua3.2.tar.gz doc? ( aqua-3.2-nmr_manual.tar.gz ) +_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 fortran-2 f75a2d9321053acf424991e805f32ede ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf +_md5_=448c80984b2fce68c6d5bef34cf480bc diff --git a/metadata/md5-cache/sci-chemistry/autodock-4.2.6 b/metadata/md5-cache/sci-chemistry/autodock-4.2.6 new file mode 100644 index 000000000000..7781414665be --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/autodock-4.2.6 @@ -0,0 +1,12 @@ +DEFINED_PHASES=compile configure install postinst prepare setup test +DEPEND=test? ( || ( >=dev-lang/python-2.7.5-r2:2.7 ) ) >=app-portage/elt-patches-20170815 || ( >=sys-devel/automake-1.16.1:1.16 >=sys-devel/automake-1.15.1:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4 +DESCRIPTION=A suite of automated docking tools +EAPI=5 +HOMEPAGE=http://autodock.scripps.edu/ +IUSE=examples openmp test +KEYWORDS=~amd64 ~x86 +LICENSE=GPL-2 +SLOT=0 +SRC_URI=http://autodock.scripps.edu/downloads/autodock-registration/tars/dist426/autodocksuite-4.2.6-src.tar.gz +_eclasses_=autotools ea7865c8fba1ea8d3639f355fffe1a3c desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 libtool f143db5a74ccd9ca28c1234deffede96 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e preserve-libs ef207dc62baddfddfd39a164d9797648 python-any-r1 2a3000b370786b5c90a651e7dd7c4797 python-utils-r1 93ff6f0f8518926f2951ca70ce36e887 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf versionator 2352c3fc97241f6a02042773c8287748 +_md5_=237a416a34f2866e72cbf3f6e1457f06 diff --git a/metadata/md5-cache/sci-chemistry/autodock_vina-1.1.2 b/metadata/md5-cache/sci-chemistry/autodock_vina-1.1.2 new file mode 100644 index 000000000000..66f1a8843a63 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/autodock_vina-1.1.2 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile install prepare +DEPEND=dev-libs/boost[threads] +DESCRIPTION=Program for drug discovery, molecular docking and virtual screening +EAPI=5 +HOMEPAGE=http://vina.scripps.edu/ +IUSE=debug +KEYWORDS=amd64 x86 +LICENSE=Apache-2.0 +RDEPEND=dev-libs/boost[threads] +SLOT=0 +SRC_URI=http://vina.scripps.edu/download/autodock_vina_1_1_2.tgz +_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf versionator 2352c3fc97241f6a02042773c8287748 +_md5_=5cede7d56a643e731ae4d39e6f4cba3d diff --git a/metadata/md5-cache/sci-chemistry/avogadro2-1.90.0_p20180211 b/metadata/md5-cache/sci-chemistry/avogadro2-1.90.0_p20180211 new file mode 100644 index 000000000000..5d52d2eb074d --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/avogadro2-1.90.0_p20180211 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install postinst postrm prepare test +DEPEND=dev-cpp/eigen:3 test? ( dev-qt/qttest:5 ) sys-devel/make >=dev-util/cmake-3.9.6 +DESCRIPTION=Advanced molecule editor and visualizer 2 +EAPI=6 +HOMEPAGE=https://www.openchemistry.org/ +IUSE=doc rpc test vtk +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=BSD GPL-2+ +RDEPEND=dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtwidgets:5 >=sci-libs/avogadrolibs-1.90.0_p20180211[qt5,vtk?] sci-libs/hdf5:= rpc? ( sci-chemistry/molequeue ) +RESTRICT=test +SLOT=0 +SRC_URI=https://github.com/OpenChemistry/avogadroapp/archive/d5e1f827be7e9d1cc6755fd68a2b42b0b1d2ec32.tar.gz -> avogadro2-1.90.0_p20180211.tar.gz +_eclasses_=cmake-utils a5d9146ee60641275d46a91aab93d02f desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=391c91cbb9b9fd9d096fa536ad81fa48 diff --git a/metadata/md5-cache/sci-chemistry/bkchem-0.14.0_pre2-r2 b/metadata/md5-cache/sci-chemistry/bkchem-0.14.0_pre2-r2 new file mode 100644 index 000000000000..95a02a51347c --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/bkchem-0.14.0_pre2-r2 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=cairo? ( dev-python/pycairo[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +DESCRIPTION=Chemical drawing program +EAPI=5 +HOMEPAGE=http://bkchem.zirael.org/ +IUSE=cairo python_targets_python2_7 +KEYWORDS=~amd64 ~x86 +LICENSE=GPL-2 +RDEPEND=cairo? ( dev-python/pycairo[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +SLOT=0 +SRC_URI=http://bkchem.zirael.org/download/bkchem-0.14.0-pre2.tar.gz +_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d distutils-r1 875cdbd904383003dd58e0ad4068470b epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 ltprune 2729691420b6deeda2a90b1f1183fb55 multibuild 40fe59465edacd730c644ec2bc197809 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 preserve-libs ef207dc62baddfddfd39a164d9797648 python-r1 d21193dfc088687e048e829419568096 python-utils-r1 93ff6f0f8518926f2951ca70ce36e887 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf versionator 2352c3fc97241f6a02042773c8287748 xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=f1633240a6e979c6aa07d3004b8f8a09 diff --git a/metadata/md5-cache/sci-chemistry/bodr-10 b/metadata/md5-cache/sci-chemistry/bodr-10 new file mode 100644 index 000000000000..707a250a1e7e --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/bodr-10 @@ -0,0 +1,10 @@ +DEFINED_PHASES=configure prepare +DEPEND=dev-libs/libxslt +DESCRIPTION=The Blue Obelisk Data Repository listing element and isotope properties +EAPI=5 +HOMEPAGE=https://sourceforge.net/projects/bodr +KEYWORDS=~amd64 ~x86 ~ppc-macos +LICENSE=MIT +SLOT=0 +SRC_URI=mirror://sourceforge/bodr/bodr-10.tar.bz2 +_md5_=659ed1b6d9656c9b9ac73eb1e2b9e2e7 diff --git a/metadata/md5-cache/sci-chemistry/bodr-9-r1 b/metadata/md5-cache/sci-chemistry/bodr-9-r1 new file mode 100644 index 000000000000..7443e10569f1 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/bodr-9-r1 @@ -0,0 +1,10 @@ +DEFINED_PHASES=configure prepare +DEPEND=dev-libs/libxslt +DESCRIPTION=The Blue Obelisk Data Repository listing element and isotope properties +EAPI=5 +HOMEPAGE=https://sourceforge.net/projects/bodr +KEYWORDS=~amd64 ~x86 ~ppc-macos +LICENSE=MIT +SLOT=0 +SRC_URI=mirror://sourceforge/bodr/bodr-9.tar.bz2 +_md5_=659ed1b6d9656c9b9ac73eb1e2b9e2e7 diff --git a/metadata/md5-cache/sci-chemistry/cara-bin-1.8.4-r1 b/metadata/md5-cache/sci-chemistry/cara-bin-1.8.4-r1 new file mode 100644 index 000000000000..a6ebf8949cee --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/cara-bin-1.8.4-r1 @@ -0,0 +1,12 @@ +DEFINED_PHASES=install +DESCRIPTION=Analysis of NMR spectra and Computer Aided Resonance Assignment +EAPI=5 +HOMEPAGE=http://www.nmr.ch +IUSE=lua +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=CARA +RDEPEND=!prefix? ( >=media-libs/fontconfig-2.10.92[abi_x86_32(-)] >=media-libs/freetype-2.5.0.1[abi_x86_32(-)] >=x11-libs/libICE-1.0.8-r1[abi_x86_32(-)] >=x11-libs/libSM-1.2.1-r1[abi_x86_32(-)] >=x11-libs/libX11-1.6.2[abi_x86_32(-)] >=x11-libs/libXcursor-1.1.14[abi_x86_32(-)] >=x11-libs/libXext-1.3.2[abi_x86_32(-)] >=x11-libs/libXi-1.7.2[abi_x86_32(-)] >=x11-libs/libXrandr-1.4.2[abi_x86_32(-)] >=x11-libs/libXrender-0.9.8[abi_x86_32(-)] ) virtual/libstdc++ lua? ( dev-lang/lua ) +RESTRICT=bindist mirror +SLOT=0 +SRC_URI=http://www.cara.nmr-software.org/downloads/cara_1.8.4_linux.gz https://dev.gentoo.org/~jlec/distfiles//Start1.2.cara.xz +_md5_=73dee26bd08647aa99877f773780cda5 diff --git a/metadata/md5-cache/sci-chemistry/chemex-0.6.1 b/metadata/md5-cache/sci-chemistry/chemex-0.6.1 new file mode 100644 index 000000000000..5f4cff1819b2 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/chemex-0.6.1 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install prepare setup test +DEPEND=>=dev-python/matplotlib-1.1[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] >=sci-libs/scipy-0.11[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] dev-python/setuptools[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] +DESCRIPTION=Program to fit chemical exchange induced shift and relaxation data +EAPI=6 +HOMEPAGE=https://github.com/gbouvignies/chemex +IUSE=python_targets_python2_7 +KEYWORDS=~amd64 +LICENSE=BSD +RDEPEND=>=dev-python/matplotlib-1.1[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] >=sci-libs/scipy-0.11[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] +REQUIRED_USE=python_targets_python2_7 +SLOT=0 +SRC_URI=https://github.com/gbouvignies/chemex/archive/0.6.1.tar.gz -> chemex-0.6.1.tar.gz +_eclasses_=distutils-r1 875cdbd904383003dd58e0ad4068470b multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 python-single-r1 3a0fc81f484bfdbd9c2b7448015a36e4 python-utils-r1 93ff6f0f8518926f2951ca70ce36e887 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=03312f8f2369be320c6294d4180a3c42 diff --git a/metadata/md5-cache/sci-chemistry/chemical-mime-data-0.1.94-r2 b/metadata/md5-cache/sci-chemistry/chemical-mime-data-0.1.94-r2 new file mode 100644 index 000000000000..4b6aac74dc58 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/chemical-mime-data-0.1.94-r2 @@ -0,0 +1,12 @@ +DEFINED_PHASES=compile configure install postinst postrm prepare test +DEPEND=gnome-base/gnome-mime-data x11-misc/shared-mime-info dev-util/intltool dev-util/desktop-file-utils dev-libs/libxslt media-gfx/imagemagick[xml,png,svg] media-gfx/inkscape virtual/pkgconfig >=app-portage/elt-patches-20170815 || ( >=sys-devel/automake-1.16.1:1.16 >=sys-devel/automake-1.15.1:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4 +DESCRIPTION=A collection of data files to add support for chemical MIME types +EAPI=5 +HOMEPAGE=http://chemical-mime.sourceforge.net/ +KEYWORDS=amd64 x86 +LICENSE=LGPL-2.1 +RDEPEND=gnome-base/gnome-mime-data x11-misc/shared-mime-info +SLOT=0 +SRC_URI=mirror://sourceforge/chemical-mime/chemical-mime-data-0.1.94.tar.bz2 +_eclasses_=autotools ea7865c8fba1ea8d3639f355fffe1a3c autotools-utils 95db0904ad0f62535e18e5ccb67cce5e desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 fdo-mime 995b19d3f30e956b4e1bc5a91fdc4ea7 libtool f143db5a74ccd9ca28c1234deffede96 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf +_md5_=05c326368174a5f93dea291b476ac17f diff --git a/metadata/md5-cache/sci-chemistry/chemical-mime-data-0.1.94-r3 b/metadata/md5-cache/sci-chemistry/chemical-mime-data-0.1.94-r3 new file mode 100644 index 000000000000..3a8ccc840d5f --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/chemical-mime-data-0.1.94-r3 @@ -0,0 +1,12 @@ +DEFINED_PHASES=configure postinst postrm preinst prepare +DEPEND=gnome-base/gnome-mime-data x11-misc/shared-mime-info dev-util/intltool dev-util/desktop-file-utils dev-libs/libxslt || ( gnome-base/librsvg media-gfx/imagemagick[xml,png,svg] ) media-gfx/imagemagick[png] virtual/pkgconfig >=app-portage/elt-patches-20170815 || ( >=sys-devel/automake-1.16.1:1.16 >=sys-devel/automake-1.15.1:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4 dev-util/desktop-file-utils x11-misc/shared-mime-info +DESCRIPTION=A collection of data files to add support for chemical MIME types +EAPI=6 +HOMEPAGE=http://chemical-mime.sourceforge.net/ +KEYWORDS=amd64 arm arm64 x86 +LICENSE=LGPL-2.1 +RDEPEND=gnome-base/gnome-mime-data x11-misc/shared-mime-info +SLOT=0 +SRC_URI=mirror://sourceforge/chemical-mime/chemical-mime-data-0.1.94.tar.bz2 +_eclasses_=autotools ea7865c8fba1ea8d3639f355fffe1a3c libtool f143db5a74ccd9ca28c1234deffede96 multilib 1d91b03d42ab6308b5f4f6b598ed110e toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c xdg c7ba313ea1eaf266f95cc6235f7d6a07 xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=a880529f3921864798ede4b84241ee73 diff --git a/metadata/md5-cache/sci-chemistry/chemtool-1.6.13 b/metadata/md5-cache/sci-chemistry/chemtool-1.6.13 new file mode 100644 index 000000000000..63a5f2c1cb27 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/chemtool-1.6.13 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=dev-libs/glib:2 media-gfx/transfig x11-libs/gtk+:2 x11-libs/libX11 x11-libs/pango emf? ( media-libs/libemf ) virtual/pkgconfig >=app-portage/elt-patches-20170815 || ( >=sys-devel/automake-1.16.1:1.16 >=sys-devel/automake-1.15.1:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4 +DESCRIPTION=A GTK program for drawing organic molecules +EAPI=4 +HOMEPAGE=http://ruby.chemie.uni-freiburg.de/~martin/chemtool/ +IUSE=emf gnome nls +KEYWORDS=amd64 ppc x86 +LICENSE=GPL-2 +RDEPEND=dev-libs/glib:2 media-gfx/transfig x11-libs/gtk+:2 x11-libs/libX11 x11-libs/pango emf? ( media-libs/libemf ) +SLOT=0 +SRC_URI=http://ruby.chemie.uni-freiburg.de/~martin/chemtool/chemtool-1.6.13.tar.gz +_eclasses_=autotools ea7865c8fba1ea8d3639f355fffe1a3c autotools-utils 95db0904ad0f62535e18e5ccb67cce5e desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 libtool f143db5a74ccd9ca28c1234deffede96 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf +_md5_=0419d3fd05ddf3d1ba49544e92c6f6e4 diff --git a/metadata/md5-cache/sci-chemistry/chemtool-1.6.14 b/metadata/md5-cache/sci-chemistry/chemtool-1.6.14 new file mode 100644 index 000000000000..c712b369163b --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/chemtool-1.6.14 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=dev-libs/glib:2 media-gfx/transfig x11-libs/gtk+:2 x11-libs/libX11 x11-libs/pango emf? ( media-libs/libemf ) virtual/pkgconfig >=app-portage/elt-patches-20170815 || ( >=sys-devel/automake-1.16.1:1.16 >=sys-devel/automake-1.15.1:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4 +DESCRIPTION=A GTK program for drawing organic molecules +EAPI=5 +HOMEPAGE=http://ruby.chemie.uni-freiburg.de/~martin/chemtool/ +IUSE=emf gnome nls +KEYWORDS=~amd64 ~ppc ~x86 +LICENSE=GPL-2 +RDEPEND=dev-libs/glib:2 media-gfx/transfig x11-libs/gtk+:2 x11-libs/libX11 x11-libs/pango emf? ( media-libs/libemf ) +SLOT=0 +SRC_URI=http://ruby.chemie.uni-freiburg.de/~martin/chemtool/chemtool-1.6.14.tar.gz +_eclasses_=autotools ea7865c8fba1ea8d3639f355fffe1a3c autotools-utils 95db0904ad0f62535e18e5ccb67cce5e desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 libtool f143db5a74ccd9ca28c1234deffede96 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf +_md5_=e9b083053d5fe0e1f7cf3a6f14238366 diff --git a/metadata/md5-cache/sci-chemistry/clashlist-3.17-r1 b/metadata/md5-cache/sci-chemistry/clashlist-3.17-r1 new file mode 100644 index 000000000000..0bc226fa0e11 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/clashlist-3.17-r1 @@ -0,0 +1,11 @@ +DEFINED_PHASES=install prepare +DEPEND=>=sci-chemistry/cluster-1.3.081231-r1 sci-chemistry/probe +DESCRIPTION=Build lists of van der Waals clashes from an input PDB file +EAPI=4 +HOMEPAGE=http://kinemage.biochem.duke.edu/software/index.php +KEYWORDS=amd64 x86 ~amd64-linux ~x86-linux +LICENSE=richardson +RDEPEND=>=sci-chemistry/cluster-1.3.081231-r1 sci-chemistry/probe +SLOT=0 +SRC_URI=mirror://gentoo/molprobity-3.17.tgz +_md5_=a77e7433a491d66a2fbf450027a02d66 diff --git a/metadata/md5-cache/sci-chemistry/cluster-1.3.081231 b/metadata/md5-cache/sci-chemistry/cluster-1.3.081231 new file mode 100644 index 000000000000..2b85d3e160b5 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/cluster-1.3.081231 @@ -0,0 +1,10 @@ +DEFINED_PHASES=install prepare +DESCRIPTION=Build lists of collections of interacting items +EAPI=4 +HOMEPAGE=http://kinemage.biochem.duke.edu/software/index.php +KEYWORDS=amd64 x86 ~amd64-linux ~x86-linux +LICENSE=richardson +SLOT=0 +SRC_URI=http://kinemage.biochem.duke.edu/downloads/software/cluster/cluster.1.3.081231.src.tgz +_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf +_md5_=8d18d1acbf26b98dedd17ce5f26b5f45 diff --git a/metadata/md5-cache/sci-chemistry/cluster-1.3.081231-r1 b/metadata/md5-cache/sci-chemistry/cluster-1.3.081231-r1 new file mode 100644 index 000000000000..1c1e3e82e486 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/cluster-1.3.081231-r1 @@ -0,0 +1,10 @@ +DEFINED_PHASES=install prepare +DESCRIPTION=Build lists of collections of interacting items +EAPI=5 +HOMEPAGE=http://kinemage.biochem.duke.edu/software/index.php +KEYWORDS=amd64 x86 ~amd64-linux ~x86-linux +LICENSE=richardson +SLOT=0 +SRC_URI=http://kinemage.biochem.duke.edu/downloads/software/cluster/cluster.1.3.081231.src.tgz +_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf +_md5_=08b47969621aa7aec0ce1305311b8854 diff --git a/metadata/md5-cache/sci-chemistry/dssp-2.2.1-r1 b/metadata/md5-cache/sci-chemistry/dssp-2.2.1-r1 new file mode 100644 index 000000000000..485a3ae6b5b5 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/dssp-2.2.1-r1 @@ -0,0 +1,12 @@ +DEFINED_PHASES=configure install +DEPEND=dev-libs/boost:=[threads] +DESCRIPTION=The protein secondary structure standard +EAPI=6 +HOMEPAGE=http://swift.cmbi.ru.nl/gv/dssp/ +KEYWORDS=amd64 x86 ~amd64-linux ~x86-linux +LICENSE=Boost-1.0 +RDEPEND=dev-libs/boost:=[threads] +SLOT=0 +SRC_URI=ftp://ftp.cmbi.ru.nl/pub/molbio/software/dssp-2/dssp-2.2.1.tgz +_eclasses_=multilib 1d91b03d42ab6308b5f4f6b598ed110e toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c +_md5_=8926af5031d675f7830e47a5da91b75a diff --git a/metadata/md5-cache/sci-chemistry/easychem-0.6-r1 b/metadata/md5-cache/sci-chemistry/easychem-0.6-r1 new file mode 100644 index 000000000000..858a6cf93acb --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/easychem-0.6-r1 @@ -0,0 +1,12 @@ +DEFINED_PHASES=compile install prepare +DEPEND=x11-libs/gtk+:2 app-text/ghostscript-gpl media-gfx/pstoedit dev-lang/perl virtual/pkgconfig +DESCRIPTION=Chemical structure drawing program - focused on presentation +EAPI=5 +HOMEPAGE=http://easychem.sourceforge.net/ +KEYWORDS=amd64 ~ppc x86 ~amd64-linux ~x86-linux +LICENSE=GPL-2 +RDEPEND=x11-libs/gtk+:2 app-text/ghostscript-gpl media-gfx/pstoedit +SLOT=0 +SRC_URI=mirror://sourceforge/easychem/easychem-0.6.tar.gz +_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf +_md5_=3c80a70aad976144c2b5b6cd1f70ee25 diff --git a/metadata/md5-cache/sci-chemistry/eden-5.3-r2 b/metadata/md5-cache/sci-chemistry/eden-5.3-r2 new file mode 100644 index 000000000000..07151b8a66d8 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/eden-5.3-r2 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile install prepare setup +DEPEND=sci-libs/fftw:2.1 sci-libs/gsl python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] virtual/pkgconfig +DESCRIPTION=A crystallographic real-space electron-density refinement & optimization program +EAPI=5 +HOMEPAGE=http://www.gromacs.org/pipermail/eden-users/ +IUSE=double-precision python_targets_python2_7 +KEYWORDS=amd64 x86 +LICENSE=GPL-2 +RDEPEND=sci-libs/fftw:2.1 sci-libs/gsl python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +SLOT=0 +SRC_URI=mirror://gentoo/eden_V5.3.tar.gz +_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 ltprune 2729691420b6deeda2a90b1f1183fb55 multibuild 40fe59465edacd730c644ec2bc197809 multilib 1d91b03d42ab6308b5f4f6b598ed110e preserve-libs ef207dc62baddfddfd39a164d9797648 python-r1 d21193dfc088687e048e829419568096 python-utils-r1 93ff6f0f8518926f2951ca70ce36e887 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf +_md5_=595d21c1540fa3217d4dc5e435b47495 diff --git a/metadata/md5-cache/sci-chemistry/elem-1.0.3-r2 b/metadata/md5-cache/sci-chemistry/elem-1.0.3-r2 new file mode 100644 index 000000000000..8a3f0082af84 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/elem-1.0.3-r2 @@ -0,0 +1,12 @@ +DEFINED_PHASES=compile configure install +DEPEND=x11-libs/xforms +DESCRIPTION=periodic table of the elements +EAPI=6 +HOMEPAGE=http://elem.sourceforge.net/ +KEYWORDS=amd64 sparc x86 +LICENSE=GPL-2 +RDEPEND=x11-libs/xforms +SLOT=0 +SRC_URI=mirror://sourceforge/elem/elem-src-1.0.3-Linux.tgz +_eclasses_=multilib 1d91b03d42ab6308b5f4f6b598ed110e toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c +_md5_=88d38a09d64f6629b940c997f8921d9d diff --git a/metadata/md5-cache/sci-chemistry/freeon-1.0.10 b/metadata/md5-cache/sci-chemistry/freeon-1.0.10 new file mode 100644 index 000000000000..3f5827f1688f --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/freeon-1.0.10 @@ -0,0 +1,12 @@ +DEFINED_PHASES=prepare setup +DEPEND=sci-libs/hdf5 virtual/blas virtual/lapack || ( dev-lang/python:3.6 dev-lang/python:3.5 >=dev-lang/python-2.7.5-r2:2.7 ) >=app-portage/elt-patches-20170815 || ( >=sys-devel/automake-1.16.1:1.16 >=sys-devel/automake-1.15.1:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4 virtual/fortran +DESCRIPTION=An experimental suite of programs for linear scaling quantum chemistry +EAPI=6 +HOMEPAGE=http://www.freeon.org +KEYWORDS=~amd64 ~x86 +LICENSE=GPL-3 +RDEPEND=sci-libs/hdf5 virtual/blas virtual/lapack virtual/fortran +SLOT=0 +SRC_URI=http://download.savannah.gnu.org/releases/freeon/freeon-1.0.10.tar.bz2 +_eclasses_=autotools ea7865c8fba1ea8d3639f355fffe1a3c desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 fortran-2 f75a2d9321053acf424991e805f32ede libtool f143db5a74ccd9ca28c1234deffede96 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e preserve-libs ef207dc62baddfddfd39a164d9797648 python-any-r1 2a3000b370786b5c90a651e7dd7c4797 python-utils-r1 93ff6f0f8518926f2951ca70ce36e887 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf +_md5_=71f846c32d3c33a0adfdac8d461f9923 diff --git a/metadata/md5-cache/sci-chemistry/freeon-1.0.8-r1 b/metadata/md5-cache/sci-chemistry/freeon-1.0.8-r1 new file mode 100644 index 000000000000..e3d4bc65fa34 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/freeon-1.0.8-r1 @@ -0,0 +1,12 @@ +DEFINED_PHASES=compile configure install prepare setup test +DEPEND=sci-libs/hdf5 virtual/blas virtual/lapack || ( >=dev-lang/python-2.7.5-r2:2.7 ) >=app-portage/elt-patches-20170815 || ( >=sys-devel/automake-1.16.1:1.16 >=sys-devel/automake-1.15.1:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4 virtual/fortran +DESCRIPTION=An experimental suite of programs for linear scaling quantum chemistry +EAPI=5 +HOMEPAGE=http://www.freeon.org +KEYWORDS=~amd64 ~x86 +LICENSE=GPL-3 +RDEPEND=sci-libs/hdf5 virtual/blas virtual/lapack virtual/fortran +SLOT=0 +SRC_URI=http://download.savannah.gnu.org/releases/freeon/freeon-1.0.8.tar.bz2 +_eclasses_=autotools ea7865c8fba1ea8d3639f355fffe1a3c autotools-utils 95db0904ad0f62535e18e5ccb67cce5e desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 fortran-2 f75a2d9321053acf424991e805f32ede libtool f143db5a74ccd9ca28c1234deffede96 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e preserve-libs ef207dc62baddfddfd39a164d9797648 python-any-r1 2a3000b370786b5c90a651e7dd7c4797 python-utils-r1 93ff6f0f8518926f2951ca70ce36e887 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf +_md5_=bd7229f9f40cac132fea1417b74adc9e diff --git a/metadata/md5-cache/sci-chemistry/gabedit-2.4.6 b/metadata/md5-cache/sci-chemistry/gabedit-2.4.6 new file mode 100644 index 000000000000..c1ec84604d9e --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/gabedit-2.4.6 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile install prepare +DEPEND=dev-libs/glib:2 x11-libs/cairo x11-libs/gdk-pixbuf:2 x11-libs/gtk+:2 x11-libs/gtkglext x11-libs/gl2ps x11-libs/pango virtual/opengl virtual/glu virtual/pkgconfig +DESCRIPTION=GUI for computational chemistry packages +EAPI=5 +HOMEPAGE=http://gabedit.sourceforge.net/ +IUSE=openmp +KEYWORDS=amd64 x86 +LICENSE=MIT +RDEPEND=dev-libs/glib:2 x11-libs/cairo x11-libs/gdk-pixbuf:2 x11-libs/gtk+:2 x11-libs/gtkglext x11-libs/gl2ps x11-libs/pango virtual/opengl virtual/glu +SLOT=0 +SRC_URI=mirror://sourceforge/gabedit/GabeditSrc246.tar.gz +_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf versionator 2352c3fc97241f6a02042773c8287748 +_md5_=de02ad242fcd105a948a6966f70f0395 diff --git a/metadata/md5-cache/sci-chemistry/gabedit-2.4.7 b/metadata/md5-cache/sci-chemistry/gabedit-2.4.7 new file mode 100644 index 000000000000..78e85070d4b2 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/gabedit-2.4.7 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile install prepare +DEPEND=dev-libs/glib:2 x11-libs/cairo x11-libs/gdk-pixbuf:2 x11-libs/gtk+:2 x11-libs/gtkglext x11-libs/gl2ps x11-libs/pango virtual/opengl virtual/glu virtual/pkgconfig +DESCRIPTION=GUI for computational chemistry packages +EAPI=5 +HOMEPAGE=http://gabedit.sourceforge.net/ +IUSE=openmp +KEYWORDS=~amd64 ~x86 +LICENSE=MIT +RDEPEND=dev-libs/glib:2 x11-libs/cairo x11-libs/gdk-pixbuf:2 x11-libs/gtk+:2 x11-libs/gtkglext x11-libs/gl2ps x11-libs/pango virtual/opengl virtual/glu +SLOT=0 +SRC_URI=mirror://sourceforge/gabedit/GabeditSrc247.tar.gz +_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf versionator 2352c3fc97241f6a02042773c8287748 +_md5_=01666c2faf39ab5b987020ca82b48d11 diff --git a/metadata/md5-cache/sci-chemistry/gabedit-2.4.8 b/metadata/md5-cache/sci-chemistry/gabedit-2.4.8 new file mode 100644 index 000000000000..9aaff2158db3 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/gabedit-2.4.8 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile install prepare +DEPEND=dev-libs/glib:2 x11-libs/cairo x11-libs/gdk-pixbuf:2 x11-libs/gtk+:2 x11-libs/gtkglext x11-libs/gl2ps x11-libs/pango virtual/opengl virtual/glu virtual/pkgconfig +DESCRIPTION=GUI for computational chemistry packages +EAPI=5 +HOMEPAGE=http://gabedit.sourceforge.net/ +IUSE=openmp +KEYWORDS=~amd64 ~x86 +LICENSE=MIT +RDEPEND=dev-libs/glib:2 x11-libs/cairo x11-libs/gdk-pixbuf:2 x11-libs/gtk+:2 x11-libs/gtkglext x11-libs/gl2ps x11-libs/pango virtual/opengl virtual/glu +SLOT=0 +SRC_URI=mirror://sourceforge/gabedit/GabeditSrc248.tar.gz +_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf versionator 2352c3fc97241f6a02042773c8287748 +_md5_=7deacca9e5961729a40da9aa988be1df diff --git a/metadata/md5-cache/sci-chemistry/gelemental-1.2.0-r1 b/metadata/md5-cache/sci-chemistry/gelemental-1.2.0-r1 new file mode 100644 index 000000000000..6d7eed23b01f --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/gelemental-1.2.0-r1 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install postinst postrm prepare test +DEPEND=dev-cpp/gtkmm:2.4 dev-cpp/glibmm:2 virtual/pkgconfig sys-devel/gettext dev-util/intltool doc? ( app-doc/doxygen ) >=app-portage/elt-patches-20170815 +DESCRIPTION=Periodic table viewer with detailed information on the chemical elements +EAPI=5 +HOMEPAGE=https://github.com/ginggs/gelemental/ +IUSE=doc static-libs +KEYWORDS=amd64 x86 +LICENSE=GPL-3 MIT +RDEPEND=dev-cpp/gtkmm:2.4 dev-cpp/glibmm:2 +SLOT=0 +SRC_URI=http://www.kdau.com/files/gelemental-1.2.0.tar.bz2 mirror://debian/pool/main/g/gelemental/gelemental_1.2.0-8.debian.tar.gz +_eclasses_=autotools ea7865c8fba1ea8d3639f355fffe1a3c autotools-utils 95db0904ad0f62535e18e5ccb67cce5e desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 fdo-mime 995b19d3f30e956b4e1bc5a91fdc4ea7 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 gnome2-utils 532371cfcba45b2ab0d2950547c97d95 libtool f143db5a74ccd9ca28c1234deffede96 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=af539120e80fdc2b368ea013a0d0d8c9 diff --git a/metadata/md5-cache/sci-chemistry/gelemental-2.0.0 b/metadata/md5-cache/sci-chemistry/gelemental-2.0.0 new file mode 100644 index 000000000000..3f98f3276bc7 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/gelemental-2.0.0 @@ -0,0 +1,14 @@ +BDEPEND=>=app-portage/elt-patches-20170815 || ( >=sys-devel/automake-1.16.1:1.16 >=sys-devel/automake-1.15.1:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4 +DEFINED_PHASES=configure postinst postrm prepare +DEPEND=dev-cpp/gtkmm:2.4 dev-cpp/glibmm:2 virtual/pkgconfig sys-devel/gettext dev-util/intltool doc? ( app-doc/doxygen ) +DESCRIPTION=Periodic table viewer with detailed information on the chemical elements +EAPI=7 +HOMEPAGE=https://github.com/ginggs/gelemental/ +IUSE=doc +KEYWORDS=~amd64 ~x86 +LICENSE=GPL-3 MIT +RDEPEND=dev-cpp/gtkmm:2.4 dev-cpp/glibmm:2 +SLOT=0 +SRC_URI=https://github.com/ginggs/gelemental/archive/v2.0.0.tar.gz -> gelemental-2.0.0.tar.gz +_eclasses_=autotools ea7865c8fba1ea8d3639f355fffe1a3c eutils 6e6c2737b59a4b982de6fb3ecefd87f8 fdo-mime 995b19d3f30e956b4e1bc5a91fdc4ea7 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 gnome2-utils 532371cfcba45b2ab0d2950547c97d95 libtool f143db5a74ccd9ca28c1234deffede96 multilib 1d91b03d42ab6308b5f4f6b598ed110e toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=da9d426376f4a5c84327af8921fc8683 diff --git a/metadata/md5-cache/sci-chemistry/ghemical-3.0.0 b/metadata/md5-cache/sci-chemistry/ghemical-3.0.0 new file mode 100644 index 000000000000..b925a1fdb6ad --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/ghemical-3.0.0 @@ -0,0 +1,14 @@ +BDEPEND=>=app-portage/elt-patches-20170815 || ( >=sys-devel/automake-1.16.1:1.16 >=sys-devel/automake-1.15.1:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4 +DEFINED_PHASES=configure install prepare +DEPEND=dev-libs/glib:2 gnome-base/libglade:2.0 sci-chemistry/mpqc >=sci-libs/libghemical-3.0.0:= >=x11-libs/liboglappth-1.0.0:= virtual/opengl x11-libs/pango:0= x11-libs/gtk+:2 x11-libs/gtkglext:0= openbabel? ( sci-chemistry/openbabel ) virtual/pkgconfig +DESCRIPTION=Chemical quantum mechanics and molecular mechanics +EAPI=7 +HOMEPAGE=http://bioinformatics.org/ghemical/ +IUSE=openbabel seamonkey threads +KEYWORDS=~amd64 ~x86 +LICENSE=GPL-2 +RDEPEND=dev-libs/glib:2 gnome-base/libglade:2.0 sci-chemistry/mpqc >=sci-libs/libghemical-3.0.0:= >=x11-libs/liboglappth-1.0.0:= virtual/opengl x11-libs/pango:0= x11-libs/gtk+:2 x11-libs/gtkglext:0= openbabel? ( sci-chemistry/openbabel ) +SLOT=0 +SRC_URI=http://bioinformatics.org/ghemical/download/current/ghemical-3.0.0.tar.gz +_eclasses_=autotools ea7865c8fba1ea8d3639f355fffe1a3c desktop b1d22ac8bdd4679ab79c71aca235009d libtool f143db5a74ccd9ca28c1234deffede96 multilib 1d91b03d42ab6308b5f4f6b598ed110e toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c +_md5_=e8ebfd359e756b95ff2c294bae917188 diff --git a/metadata/md5-cache/sci-chemistry/gmxapi-0.0.7.1 b/metadata/md5-cache/sci-chemistry/gmxapi-0.0.7.1 new file mode 100644 index 000000000000..aa20ec751ca2 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/gmxapi-0.0.7.1 @@ -0,0 +1,15 @@ +BDEPEND=dev-util/ninja >=dev-util/cmake-3.9.6 +DEFINED_PHASES=compile configure install prepare test +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) python_targets_python3_5? ( dev-lang/python:3.5 ) python_targets_python3_6? ( dev-lang/python:3.6 ) python_targets_python3_7? ( dev-lang/python:3.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-)] >=sci-chemistry/gromacs-2019:= +DESCRIPTION=Gromacs API bindings +EAPI=7 +HOMEPAGE=https://github.com/kassonlab/gmxapi +IUSE=python_targets_python2_7 python_targets_python3_5 python_targets_python3_6 python_targets_python3_7 +KEYWORDS=~amd64 ~x86 +LICENSE=LGPL-2.1 +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) python_targets_python3_5? ( dev-lang/python:3.5 ) python_targets_python3_6? ( dev-lang/python:3.6 ) python_targets_python3_7? ( dev-lang/python:3.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-)] >=sci-chemistry/gromacs-2019:= sci-libs/scikits[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-)] dev-python/networkx[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 python_targets_python3_5 python_targets_python3_6 python_targets_python3_7 ) +SLOT=0 +SRC_URI=https://github.com/kassonlab/gmxapi/archive/v0.0.7.1.tar.gz -> gmxapi-0.0.7.1.tar.gz +_eclasses_=cmake-utils a5d9146ee60641275d46a91aab93d02f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 multibuild 40fe59465edacd730c644ec2bc197809 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f python-r1 d21193dfc088687e048e829419568096 python-utils-r1 93ff6f0f8518926f2951ca70ce36e887 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=a42f7d5caeb13c0d4d52d651280bd474 diff --git a/metadata/md5-cache/sci-chemistry/gperiodic-2.0.10-r2 b/metadata/md5-cache/sci-chemistry/gperiodic-2.0.10-r2 new file mode 100644 index 000000000000..fb96d173870c --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/gperiodic-2.0.10-r2 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile install prepare +DEPEND=sys-libs/ncurses:0 x11-libs/gtk+:2 x11-libs/cairo[X] nls? ( sys-devel/gettext ) virtual/pkgconfig +DESCRIPTION=Periodic table application for Linux +EAPI=4 +HOMEPAGE=http://www.frantz.fi/software/gperiodic.php +IUSE=nls +KEYWORDS=amd64 x86 +LICENSE=GPL-2 +RDEPEND=sys-libs/ncurses:0 x11-libs/gtk+:2 x11-libs/cairo[X] nls? ( sys-devel/gettext ) +SLOT=0 +SRC_URI=http://www.frantz.fi/software/gperiodic-2.0.10.tar.gz +_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf +_md5_=8ecd12d431782b369384c6d51da05864 diff --git a/metadata/md5-cache/sci-chemistry/gperiodic-3.0.1 b/metadata/md5-cache/sci-chemistry/gperiodic-3.0.1 new file mode 100644 index 000000000000..bac1e1eb2176 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/gperiodic-3.0.1 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile install prepare +DEPEND=sys-libs/ncurses:0 x11-libs/gtk+:2 x11-libs/cairo[X] nls? ( sys-devel/gettext ) virtual/pkgconfig +DESCRIPTION=Periodic table application for Linux +EAPI=5 +HOMEPAGE=http://www.frantz.fi/software/gperiodic.php +IUSE=nls +KEYWORDS=~amd64 ~x86 +LICENSE=GPL-2 +RDEPEND=sys-libs/ncurses:0 x11-libs/gtk+:2 x11-libs/cairo[X] nls? ( sys-devel/gettext ) +SLOT=0 +SRC_URI=http://downloads.sourceforge.net/project/gperiodic/gperiodic-3.0.1.tar.gz +_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf +_md5_=a81005d9f0815a7b02c801fb7acac90c diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2018.7 b/metadata/md5-cache/sci-chemistry/gromacs-2018.7 new file mode 100644 index 000000000000..53491219ee65 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/gromacs-2018.7 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile configure install postinst prepare pretend test unpack +DEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( <sys-apps/hwloc-2 ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) virtual/pkgconfig doc? ( app-doc/doxygen dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.9.6 +DESCRIPTION=The ultimate molecular dynamics simulation package +EAPI=6 +HOMEPAGE=http://www.gromacs.org/ +IUSE=X blas cuda +doc -double-precision +fftw +hwloc lapack mkl mpi +offensive opencl openmp +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 +KEYWORDS=amd64 arm x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-macos +LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD ) +RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( <sys-apps/hwloc-2 ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) +REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) +RESTRICT=!test? ( test ) +SLOT=0/2018.7 +SRC_URI=ftp://ftp.gromacs.org/pub/gromacs/gromacs-2018.7.tar.gz test? ( http://gerrit.gromacs.org/download/regressiontests-2018.7.tar.gz ) +_eclasses_=bash-completion-r1 47a7402d95930413ce25ba8d857339bb cmake-utils a5d9146ee60641275d46a91aab93d02f cuda bb861e5221b7272ac90c2f12791c1e66 desktop b1d22ac8bdd4679ab79c71aca235009d eapi7-ver 756b3f27d8e46131d5cf3c51bd876446 epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f preserve-libs ef207dc62baddfddfd39a164d9797648 readme.gentoo-r1 22ae82e140bdd95d17a34fd5fd733190 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=c4be284ab186aa106f4a22f33fce231f diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2018.8 b/metadata/md5-cache/sci-chemistry/gromacs-2018.8 new file mode 100644 index 000000000000..2aa1021b80cc --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/gromacs-2018.8 @@ -0,0 +1,15 @@ +BDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( <sys-apps/hwloc-2 ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) virtual/pkgconfig doc? ( app-doc/doxygen dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.9.6 +DEFINED_PHASES=compile configure install postinst prepare pretend test unpack +DESCRIPTION=The ultimate molecular dynamics simulation package +EAPI=7 +HOMEPAGE=http://www.gromacs.org/ +IUSE=X blas cuda +doc -double-precision +fftw +hwloc lapack mkl mpi +offensive opencl openmp +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 +KEYWORDS=~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-macos +LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD ) +RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( <sys-apps/hwloc-2 ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) +REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) +RESTRICT=!test? ( test ) +SLOT=0/2018.8 +SRC_URI=ftp://ftp.gromacs.org/pub/gromacs/gromacs-2018.8.tar.gz test? ( http://gerrit.gromacs.org/download/regressiontests-2018.8.tar.gz ) +_eclasses_=bash-completion-r1 47a7402d95930413ce25ba8d857339bb cmake-utils a5d9146ee60641275d46a91aab93d02f cuda bb861e5221b7272ac90c2f12791c1e66 eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f readme.gentoo-r1 22ae82e140bdd95d17a34fd5fd733190 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=2e109e4f17d20232ba21c7fd1ded8cc4 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2018.9999 b/metadata/md5-cache/sci-chemistry/gromacs-2018.9999 new file mode 100644 index 000000000000..72c8ddaf2260 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/gromacs-2018.9999 @@ -0,0 +1,14 @@ +BDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( <sys-apps/hwloc-2 ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) virtual/pkgconfig doc? ( app-doc/doxygen dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.9.6 >=dev-vcs/git-1.8.2.1[curl] +DEFINED_PHASES=compile configure install postinst prepare pretend test unpack +DESCRIPTION=The ultimate molecular dynamics simulation package +EAPI=7 +HOMEPAGE=http://www.gromacs.org/ +IUSE=X blas cuda +doc -double-precision +fftw +hwloc lapack mkl mpi +offensive opencl openmp +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 +LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD ) +PROPERTIES=live +RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( <sys-apps/hwloc-2 ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) +REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) +RESTRICT=!test? ( test ) +SLOT=0/2018.9999 +_eclasses_=bash-completion-r1 47a7402d95930413ce25ba8d857339bb cmake-utils a5d9146ee60641275d46a91aab93d02f cuda bb861e5221b7272ac90c2f12791c1e66 eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 git-r3 562b380fc59ae6a8622171d0acb777d1 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f readme.gentoo-r1 22ae82e140bdd95d17a34fd5fd733190 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=2e109e4f17d20232ba21c7fd1ded8cc4 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2019.2 b/metadata/md5-cache/sci-chemistry/gromacs-2019.2 new file mode 100644 index 000000000000..1d910e77695f --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/gromacs-2019.2 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack +DEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14 ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( sys-apps/hwloc ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] virtual/pkgconfig doc? ( app-doc/doxygen dev-python/sphinx[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.9.6 +DESCRIPTION=The ultimate molecular dynamics simulation package +EAPI=6 +HOMEPAGE=http://www.gromacs.org/ +IUSE=X blas cuda +doc -double-precision +fftw +gmxapi +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 python_targets_python2_7 +KEYWORDS=amd64 arm x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-macos +LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD ) +RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14 ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( sys-apps/hwloc ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] +REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) python_targets_python2_7 +RESTRICT=!test? ( test ) +SLOT=0/2019.2 +SRC_URI=ftp://ftp.gromacs.org/pub/gromacs/gromacs-2019.2.tar.gz test? ( http://gerrit.gromacs.org/download/regressiontests-2019.2.tar.gz ) +_eclasses_=bash-completion-r1 47a7402d95930413ce25ba8d857339bb cmake-utils a5d9146ee60641275d46a91aab93d02f cuda bb861e5221b7272ac90c2f12791c1e66 desktop b1d22ac8bdd4679ab79c71aca235009d eapi7-ver 756b3f27d8e46131d5cf3c51bd876446 epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f preserve-libs ef207dc62baddfddfd39a164d9797648 python-single-r1 3a0fc81f484bfdbd9c2b7448015a36e4 python-utils-r1 93ff6f0f8518926f2951ca70ce36e887 readme.gentoo-r1 22ae82e140bdd95d17a34fd5fd733190 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=8f82db3238baca4d7d7e5304a2edf3d7 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2019.3 b/metadata/md5-cache/sci-chemistry/gromacs-2019.3 new file mode 100644 index 000000000000..0e0ff7f182e1 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/gromacs-2019.3 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack +DEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14 ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( sys-apps/hwloc ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] virtual/pkgconfig doc? ( app-doc/doxygen dev-python/sphinx[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.9.6 +DESCRIPTION=The ultimate molecular dynamics simulation package +EAPI=6 +HOMEPAGE=http://www.gromacs.org/ +IUSE=X blas cuda +doc -double-precision +fftw +gmxapi +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 python_targets_python2_7 +KEYWORDS=~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-macos +LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD ) +RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14 ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( sys-apps/hwloc ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] +REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) python_targets_python2_7 +RESTRICT=!test? ( test ) +SLOT=0/2019.3 +SRC_URI=ftp://ftp.gromacs.org/pub/gromacs/gromacs-2019.3.tar.gz test? ( http://gerrit.gromacs.org/download/regressiontests-2019.3.tar.gz ) +_eclasses_=bash-completion-r1 47a7402d95930413ce25ba8d857339bb cmake-utils a5d9146ee60641275d46a91aab93d02f cuda bb861e5221b7272ac90c2f12791c1e66 desktop b1d22ac8bdd4679ab79c71aca235009d eapi7-ver 756b3f27d8e46131d5cf3c51bd876446 epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f preserve-libs ef207dc62baddfddfd39a164d9797648 python-single-r1 3a0fc81f484bfdbd9c2b7448015a36e4 python-utils-r1 93ff6f0f8518926f2951ca70ce36e887 readme.gentoo-r1 22ae82e140bdd95d17a34fd5fd733190 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=491dffadb3dafcf7498a6ae842f5798e diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2019.4 b/metadata/md5-cache/sci-chemistry/gromacs-2019.4 new file mode 100644 index 000000000000..6d5a6322fa66 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/gromacs-2019.4 @@ -0,0 +1,15 @@ +BDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14 ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( sys-apps/hwloc ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] virtual/pkgconfig doc? ( app-doc/doxygen dev-python/sphinx[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.9.6 +DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack +DESCRIPTION=The ultimate molecular dynamics simulation package +EAPI=7 +HOMEPAGE=http://www.gromacs.org/ +IUSE=X blas cuda +doc -double-precision +fftw +gmxapi +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 python_targets_python2_7 +KEYWORDS=~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-macos +LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD ) +RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14 ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( sys-apps/hwloc ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] +REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) python_targets_python2_7 +RESTRICT=!test? ( test ) +SLOT=0/2019.4 +SRC_URI=ftp://ftp.gromacs.org/pub/gromacs/gromacs-2019.4.tar.gz test? ( http://gerrit.gromacs.org/download/regressiontests-2019.4.tar.gz ) +_eclasses_=bash-completion-r1 47a7402d95930413ce25ba8d857339bb cmake-utils a5d9146ee60641275d46a91aab93d02f cuda bb861e5221b7272ac90c2f12791c1e66 eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f python-single-r1 3a0fc81f484bfdbd9c2b7448015a36e4 python-utils-r1 93ff6f0f8518926f2951ca70ce36e887 readme.gentoo-r1 22ae82e140bdd95d17a34fd5fd733190 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=4a6627448855defe2f541e0074793e00 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2019.9999 b/metadata/md5-cache/sci-chemistry/gromacs-2019.9999 new file mode 100644 index 000000000000..a002aaa1c9a7 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/gromacs-2019.9999 @@ -0,0 +1,14 @@ +BDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14 ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( sys-apps/hwloc ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] virtual/pkgconfig doc? ( app-doc/doxygen dev-python/sphinx[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.9.6 >=dev-vcs/git-1.8.2.1[curl] +DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack +DESCRIPTION=The ultimate molecular dynamics simulation package +EAPI=7 +HOMEPAGE=http://www.gromacs.org/ +IUSE=X blas cuda +doc -double-precision +fftw +gmxapi +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 python_targets_python2_7 +LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD ) +PROPERTIES=live +RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14 ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( sys-apps/hwloc ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] +REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) python_targets_python2_7 +RESTRICT=!test? ( test ) +SLOT=0/2019.9999 +_eclasses_=bash-completion-r1 47a7402d95930413ce25ba8d857339bb cmake-utils a5d9146ee60641275d46a91aab93d02f cuda bb861e5221b7272ac90c2f12791c1e66 eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 git-r3 562b380fc59ae6a8622171d0acb777d1 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f python-single-r1 3a0fc81f484bfdbd9c2b7448015a36e4 python-utils-r1 93ff6f0f8518926f2951ca70ce36e887 readme.gentoo-r1 22ae82e140bdd95d17a34fd5fd733190 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=4a6627448855defe2f541e0074793e00 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2020_beta1 b/metadata/md5-cache/sci-chemistry/gromacs-2020_beta1 new file mode 100644 index 000000000000..3d170343e77b --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/gromacs-2020_beta1 @@ -0,0 +1,15 @@ +BDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14 ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( sys-apps/hwloc ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_targets_python3_5? ( dev-lang/python:3.5 ) python_targets_python3_6? ( dev-lang/python:3.6 ) python_targets_python3_7? ( dev-lang/python:3.7 ) >=dev-lang/python-exec-2:=[python_targets_python3_5(-)?,python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-)] virtual/pkgconfig doc? ( app-doc/doxygen dev-python/sphinx[python_targets_python3_5(-)?,python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-)] media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.9.6 python_targets_python3_5? ( dev-lang/python:3.5 ) python_targets_python3_6? ( dev-lang/python:3.6 ) python_targets_python3_7? ( dev-lang/python:3.7 ) >=dev-lang/python-exec-2:=[python_targets_python3_5(-)?,python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-)] +DEFINED_PHASES=compile configure install postinst prepare pretend test unpack +DESCRIPTION=The ultimate molecular dynamics simulation package +EAPI=7 +HOMEPAGE=http://www.gromacs.org/ +IUSE=X blas cuda +doc -double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 python_targets_python3_5 python_targets_python3_6 python_targets_python3_7 +KEYWORDS=~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-macos +LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD ) +RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14 ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( sys-apps/hwloc ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_targets_python3_5? ( dev-lang/python:3.5 ) python_targets_python3_6? ( dev-lang/python:3.6 ) python_targets_python3_7? ( dev-lang/python:3.7 ) >=dev-lang/python-exec-2:=[python_targets_python3_5(-)?,python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-)] python_targets_python3_5? ( dev-lang/python:3.5 ) python_targets_python3_6? ( dev-lang/python:3.6 ) python_targets_python3_7? ( dev-lang/python:3.7 ) >=dev-lang/python-exec-2:=[python_targets_python3_5(-)?,python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-)] +REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) || ( python_targets_python3_5 python_targets_python3_6 python_targets_python3_7 ) || ( python_targets_python3_5 python_targets_python3_6 python_targets_python3_7 ) +RESTRICT=!test? ( test ) +SLOT=0/2020_beta1 +SRC_URI=ftp://ftp.gromacs.org/pub/gromacs/gromacs-2020-beta1.tar.gz test? ( http://gerrit.gromacs.org/download/regressiontests-2020-beta1.tar.gz ) +_eclasses_=bash-completion-r1 47a7402d95930413ce25ba8d857339bb cmake-utils a5d9146ee60641275d46a91aab93d02f cuda bb861e5221b7272ac90c2f12791c1e66 distutils-r1 875cdbd904383003dd58e0ad4068470b eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 multibuild 40fe59465edacd730c644ec2bc197809 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f python-r1 d21193dfc088687e048e829419568096 python-utils-r1 93ff6f0f8518926f2951ca70ce36e887 readme.gentoo-r1 22ae82e140bdd95d17a34fd5fd733190 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=4bd5512ca775c9588c85781f241bfea7 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-9999 b/metadata/md5-cache/sci-chemistry/gromacs-9999 new file mode 100644 index 000000000000..e9d786df53bc --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/gromacs-9999 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install postinst prepare pretend test unpack +DEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14 ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( sys-apps/hwloc ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) virtual/pkgconfig doc? ( app-doc/doxygen dev-python/sphinx media-gfx/mscgen dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.9.6 >=dev-vcs/git-1.8.2.1[curl] +DESCRIPTION=The ultimate molecular dynamics simulation package +EAPI=6 +HOMEPAGE=http://www.gromacs.org/ +IUSE=X blas cuda +doc -double-precision +fftw +gmxapi +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 +LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD ) +PROPERTIES=live +RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14 ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( sys-apps/hwloc ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) +REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) +RESTRICT=!test? ( test ) +SLOT=0/9999 +_eclasses_=bash-completion-r1 47a7402d95930413ce25ba8d857339bb cmake-utils a5d9146ee60641275d46a91aab93d02f cuda bb861e5221b7272ac90c2f12791c1e66 desktop b1d22ac8bdd4679ab79c71aca235009d eapi7-ver 756b3f27d8e46131d5cf3c51bd876446 epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 git-r3 562b380fc59ae6a8622171d0acb777d1 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f preserve-libs ef207dc62baddfddfd39a164d9797648 readme.gentoo-r1 22ae82e140bdd95d17a34fd5fd733190 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=bb2c259ca42403203a147437a921c544 diff --git a/metadata/md5-cache/sci-chemistry/hollow-1.2-r1 b/metadata/md5-cache/sci-chemistry/hollow-1.2-r1 new file mode 100644 index 000000000000..12427a7dc3bc --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/hollow-1.2-r1 @@ -0,0 +1,14 @@ +DEFINED_PHASES=install +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] app-arch/unzip +DESCRIPTION=Production of surface images of proteins +EAPI=5 +HOMEPAGE=http://hollow.sourceforge.net/ +IUSE=python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=GPL-3 +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-chemistry/pymol[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +SLOT=0 +SRC_URI=http://hollow.sourceforge.net/hollow-1.2.zip +_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 ltprune 2729691420b6deeda2a90b1f1183fb55 multibuild 40fe59465edacd730c644ec2bc197809 multilib 1d91b03d42ab6308b5f4f6b598ed110e preserve-libs ef207dc62baddfddfd39a164d9797648 python-r1 d21193dfc088687e048e829419568096 python-utils-r1 93ff6f0f8518926f2951ca70ce36e887 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf +_md5_=f30b26c5e318f9cc07d344abd4c9fde2 diff --git a/metadata/md5-cache/sci-chemistry/ksdssp-040728-r1 b/metadata/md5-cache/sci-chemistry/ksdssp-040728-r1 new file mode 100644 index 000000000000..9179edd1280e --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/ksdssp-040728-r1 @@ -0,0 +1,12 @@ +DEFINED_PHASES=compile install unpack +DEPEND=sci-libs/libpdb++ app-arch/sharutils +DESCRIPTION=An open source implementation of sci-chemistry/dssp +EAPI=4 +HOMEPAGE=http://www.cgl.ucsf.edu/Overview/software.html +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=BSD +RDEPEND=sci-libs/libpdb++ +SLOT=0 +SRC_URI=mirror://gentoo/ksdssp-040728.shar +_eclasses_=multilib 1d91b03d42ab6308b5f4f6b598ed110e toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c +_md5_=6bb092702547ffcfeb08d0f5ac9988de diff --git a/metadata/md5-cache/sci-chemistry/mars-1.2 b/metadata/md5-cache/sci-chemistry/mars-1.2 new file mode 100644 index 000000000000..2e6353f67556 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/mars-1.2 @@ -0,0 +1,12 @@ +DEFINED_PHASES=install +DESCRIPTION=Robust automatic backbone assignment of proteins +EAPI=4 +HOMEPAGE=http://www.mpibpc.mpg.de/groups/zweckstetter/_links/software_mars.htm +IUSE=examples +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=all-rights-reserved +RDEPEND=sci-biology/psipred +RESTRICT=mirror +SLOT=0 +SRC_URI=http://www.mpibpc.mpg.de/groups/zweckstetter/_software_files/_mars/mars-1.2_linux.tar.gz +_md5_=e01a256527afa2d3dd3fe9840c6af7e8 diff --git a/metadata/md5-cache/sci-chemistry/mdtraj-1.9.1 b/metadata/md5-cache/sci-chemistry/mdtraj-1.9.1 new file mode 100644 index 000000000000..9b3edac50a24 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/mdtraj-1.9.1 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=dev-python/setuptools[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] dev-python/numpy[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] sci-libs/scipy[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] dev-python/pandas[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] dev-python/pytables[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] dev-python/networkx[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] test? ( dev-python/nose[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) python_targets_python3_5? ( dev-lang/python:3.5 ) python_targets_python3_6? ( dev-lang/python:3.6 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] +DESCRIPTION=Read, write and analyze MD trajectories with only a few lines of Python code +EAPI=6 +HOMEPAGE=http://mdtraj.org +IUSE=test python_targets_python2_7 python_targets_python3_5 python_targets_python3_6 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=GPL-2 +RDEPEND=dev-python/setuptools[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] dev-python/numpy[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] sci-libs/scipy[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] dev-python/pandas[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] dev-python/pytables[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] dev-python/networkx[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) python_targets_python3_5? ( dev-lang/python:3.5 ) python_targets_python3_6? ( dev-lang/python:3.6 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] +REQUIRED_USE=|| ( python_targets_python2_7 python_targets_python3_5 python_targets_python3_6 ) +SLOT=0 +SRC_URI=mirror://pypi/m/mdtraj/mdtraj-1.9.1.tar.gz +_eclasses_=distutils-r1 875cdbd904383003dd58e0ad4068470b multibuild 40fe59465edacd730c644ec2bc197809 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 python-r1 d21193dfc088687e048e829419568096 python-utils-r1 93ff6f0f8518926f2951ca70ce36e887 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=bf8b1c2b5ce3aaa4234b24e222534dbb diff --git a/metadata/md5-cache/sci-chemistry/mm-align-20120321 b/metadata/md5-cache/sci-chemistry/mm-align-20120321 new file mode 100644 index 000000000000..823128389d3d --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/mm-align-20120321 @@ -0,0 +1,12 @@ +DEFINED_PHASES=compile configure install prepare setup test +DEPEND=sys-devel/make >=dev-util/cmake-3.9.6 virtual/fortran +DESCRIPTION=Protein Complex Structural Alignment +EAPI=6 +HOMEPAGE=http://zhanglab.ccmb.med.umich.edu/MM-align/ +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=tm-align +RDEPEND=virtual/fortran +SLOT=0 +SRC_URI=https://dev.gentoo.org/~jlec/distfiles/MM-align-20120321.tar.xz +_eclasses_=cmake-utils a5d9146ee60641275d46a91aab93d02f desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 fortran-2 f75a2d9321053acf424991e805f32ede ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=49c7ebd406de721ad41571fdc9428f3f diff --git a/metadata/md5-cache/sci-chemistry/modeller-9.20 b/metadata/md5-cache/sci-chemistry/modeller-9.20 new file mode 100644 index 000000000000..70d13c1d6a41 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/modeller-9.20 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile config configure install postinst postrm prepare setup test +DEPEND=>=dev-lang/swig-1.3 python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +DESCRIPTION=Homology or comparative modeling of protein three-dimensional structures +EAPI=6 +HOMEPAGE=https://salilab.org/modeller/ +IUSE=doc examples python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=modeller +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +RESTRICT=mirror +SLOT=0 +SRC_URI=https://salilab.org/modeller/9.20/modeller-9.20.tar.gz +_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d distutils-r1 875cdbd904383003dd58e0ad4068470b epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 ltprune 2729691420b6deeda2a90b1f1183fb55 multibuild 40fe59465edacd730c644ec2bc197809 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 preserve-libs ef207dc62baddfddfd39a164d9797648 python-r1 d21193dfc088687e048e829419568096 python-utils-r1 93ff6f0f8518926f2951ca70ce36e887 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf versionator 2352c3fc97241f6a02042773c8287748 xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=ee65458b50a4900e4aae940f90888ece diff --git a/metadata/md5-cache/sci-chemistry/modeller-9.22 b/metadata/md5-cache/sci-chemistry/modeller-9.22 new file mode 100644 index 000000000000..5f4ae303902e --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/modeller-9.22 @@ -0,0 +1,16 @@ +BDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +DEFINED_PHASES=compile config configure install postinst postrm prepare setup test +DEPEND=>=dev-lang/swig-1.3 +DESCRIPTION=Homology or comparative modeling of protein three-dimensional structures +EAPI=7 +HOMEPAGE=https://salilab.org/modeller/ +IUSE=doc examples python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=modeller +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +RESTRICT=mirror +SLOT=0 +SRC_URI=https://salilab.org/modeller/9.22/modeller-9.22.tar.gz +_eclasses_=distutils-r1 875cdbd904383003dd58e0ad4068470b eutils 6e6c2737b59a4b982de6fb3ecefd87f8 multibuild 40fe59465edacd730c644ec2bc197809 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 python-r1 d21193dfc088687e048e829419568096 python-utils-r1 93ff6f0f8518926f2951ca70ce36e887 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c +_md5_=d3fe4515218ae07e5b082055340d0019 diff --git a/metadata/md5-cache/sci-chemistry/molden-5.5 b/metadata/md5-cache/sci-chemistry/molden-5.5 new file mode 100644 index 000000000000..129e89abf5d2 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/molden-5.5 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile install prepare setup +DEPEND=x11-libs/libXmu virtual/glu opengl? ( media-libs/freeglut virtual/opengl ) x11-misc/gccmakedep app-editors/vim virtual/fortran +DESCRIPTION=Display molecular density from GAMESS-UK, GAMESS-US, GAUSSIAN and Mopac/Ampac +EAPI=6 +HOMEPAGE=http://www.cmbi.ru.nl/molden/ +IUSE=opengl +KEYWORDS=amd64 x86 +LICENSE=MOLDEN +RDEPEND=x11-libs/libXmu virtual/glu opengl? ( media-libs/freeglut virtual/opengl ) virtual/fortran +SLOT=0 +SRC_URI=ftp://ftp.cmbi.ru.nl/pub/molgraph/molden/molden5.5.tar.gz +_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 fortran-2 f75a2d9321053acf424991e805f32ede ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf +_md5_=000e8ca444f51f09fb7c97222776d2d6 diff --git a/metadata/md5-cache/sci-chemistry/moldy-2.16e-r2 b/metadata/md5-cache/sci-chemistry/moldy-2.16e-r2 new file mode 100644 index 000000000000..d9ee7d687314 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/moldy-2.16e-r2 @@ -0,0 +1,12 @@ +DEFINED_PHASES=compile configure install prepare +DEPEND=doc? ( virtual/latex-base ) +DESCRIPTION=Molecular dynamics simulations platform +EAPI=4 +HOMEPAGE=http://www.ccp5.ac.uk/moldy/moldy.html +IUSE=doc examples +KEYWORDS=amd64 ppc x86 ~amd64-linux ~x86-linux ~ppc-macos +LICENSE=GPL-2 +SLOT=0 +SRC_URI=ftp://ftp.earth.ox.ac.uk/pub/keith/moldy-2.16e.tar.gz +_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf +_md5_=b14f301c0d5e50d724cd31291ed59e3f diff --git a/metadata/md5-cache/sci-chemistry/molequeue-0.9.0 b/metadata/md5-cache/sci-chemistry/molequeue-0.9.0 new file mode 100644 index 000000000000..528dfb216ac1 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/molequeue-0.9.0 @@ -0,0 +1,15 @@ +BDEPEND=doc? ( app-doc/doxygen ) dev-util/ninja >=dev-util/cmake-3.9.6 test? ( !prefix? ( x11-base/xorg-server[xvfb] ) x11-apps/xhost ) +DEFINED_PHASES=compile configure install prepare setup test +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtnetwork:5 dev-qt/qtwidgets:5 zeromq? ( net-libs/cppzmq:0= ) +DESCRIPTION=Abstract, manage and coordinate execution of tasks +EAPI=7 +HOMEPAGE=https://www.openchemistry.org/projects/molequeue/ +IUSE=+client doc server test +zeromq python_targets_python2_7 test +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=BSD +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtnetwork:5 dev-qt/qtwidgets:5 zeromq? ( net-libs/cppzmq:0= ) +REQUIRED_USE=python_targets_python2_7 server? ( client ) test? ( server ) +SLOT=0 +SRC_URI=https://github.com/OpenChemistry/molequeue/archive/0.9.0.tar.gz -> molequeue-0.9.0.tar.gz +_eclasses_=cmake-utils a5d9146ee60641275d46a91aab93d02f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f python-single-r1 3a0fc81f484bfdbd9c2b7448015a36e4 python-utils-r1 93ff6f0f8518926f2951ca70ce36e887 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c virtualx 53625127887b62eabb9ec61d3d943462 xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=b6ade7835e1504f8599c72d6849d093f diff --git a/metadata/md5-cache/sci-chemistry/molmol-2k_p2-r5 b/metadata/md5-cache/sci-chemistry/molmol-2k_p2-r5 new file mode 100644 index 000000000000..7a2d83a9dc58 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/molmol-2k_p2-r5 @@ -0,0 +1,12 @@ +DEFINED_PHASES=install prepare setup +DEPEND=|| ( ( media-libs/mesa[X(+)] x11-libs/libGLw ) media-libs/mesa[motif,X(+)] ) media-libs/libpng:0= media-libs/tiff:0 sys-libs/zlib virtual/glu virtual/jpeg:0 x11-libs/libXpm x11-libs/motif:0 x11-apps/xdpyinfo +DESCRIPTION=Publication-quality molecular visualization package +EAPI=7 +HOMEPAGE=http://www.csb.yale.edu/userguides/graphics/molmol/molmol_descrip.html http://pjf.net/science/molmol.html +KEYWORDS=amd64 ppc x86 ~amd64-linux ~x86-linux +LICENSE=molmol +RDEPEND=|| ( ( media-libs/mesa[X(+)] x11-libs/libGLw ) media-libs/mesa[motif,X(+)] ) media-libs/libpng:0= media-libs/tiff:0 sys-libs/zlib virtual/glu virtual/jpeg:0 x11-libs/libXpm x11-libs/motif:0 x11-apps/xdpyinfo +SLOT=0 +SRC_URI=ftp://ftp.mol.biol.ethz.ch/software/MOLMOL/unix-gzip/molmol-2k.2.0-src.tar.gz ftp://ftp.mol.biol.ethz.ch/software/MOLMOL/unix-gzip/molmol-2k.2.0-doc.tar.gz https://dev.gentoo.org/~soap/distfiles/molmol-patches.tbz2 https://dev.gentoo.org/~pacho/molmol/molmol.png +_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d multilib 1d91b03d42ab6308b5f4f6b598ed110e prefix c2993e4c430c1ee24f278983d6189501 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c +_md5_=7d8a4c625c1b9bdc28452405ff187cb7 diff --git a/metadata/md5-cache/sci-chemistry/molscript-2.1.2-r2 b/metadata/md5-cache/sci-chemistry/molscript-2.1.2-r2 new file mode 100644 index 000000000000..64cafea0218b --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/molscript-2.1.2-r2 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile install nofetch prepare +DEPEND=media-libs/freeglut media-libs/gd:2= media-libs/libpng:0= virtual/jpeg:0= || ( x11-libs/libXmu x11-libs/libXext x11-libs/libX11 ) +DESCRIPTION=Display 3D molecules (e.g., proteins) in schematic and detailed representations +EAPI=5 +HOMEPAGE=http://www.avatar.se/molscript/ +KEYWORDS=amd64 ppc x86 ~amd64-linux ~x86-linux +LICENSE=glut molscript +RDEPEND=media-libs/freeglut media-libs/gd:2= media-libs/libpng:0= virtual/jpeg:0= || ( x11-libs/libXmu x11-libs/libXext x11-libs/libX11 ) +RESTRICT=fetch +SLOT=0 +SRC_URI=molscript-2.1.2.tar.gz +_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf +_md5_=41c75eec15a7e1c640e586f38e987b4d diff --git a/metadata/md5-cache/sci-chemistry/molsketch-0.4.1-r1 b/metadata/md5-cache/sci-chemistry/molsketch-0.4.1-r1 new file mode 100644 index 000000000000..abc755997cd0 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/molsketch-0.4.1-r1 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=>=sci-chemistry/openbabel-2.2 dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtprintsupport:5 dev-qt/qtsvg:5 dev-qt/qtwidgets:5 dev-util/ninja >=dev-util/cmake-3.9.6 +DESCRIPTION=A drawing tool for 2D molecular structures +EAPI=6 +HOMEPAGE=http://molsketch.sourceforge.net/ +IUSE=test +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=GPL-2 +RDEPEND=>=sci-chemistry/openbabel-2.2 dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtprintsupport:5 dev-qt/qtsvg:5 dev-qt/qtwidgets:5 +SLOT=0 +SRC_URI=mirror://sourceforge/project/molsketch/Molsketch/Beryllium-7%200.4.1/Molsketch-0.4.1-src.tar.gz +_eclasses_=cmake-utils a5d9146ee60641275d46a91aab93d02f desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f preserve-libs ef207dc62baddfddfd39a164d9797648 qmake-utils bdf97e69a34b864d6d545f4ec3143ff7 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=b45b296034ade945ccc335907c045895 diff --git a/metadata/md5-cache/sci-chemistry/mopac7-1.15 b/metadata/md5-cache/sci-chemistry/mopac7-1.15 new file mode 100644 index 000000000000..d43f06f6f215 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/mopac7-1.15 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install prepare setup +DEPEND=dev-libs/libf2c >=app-portage/elt-patches-20170815 || ( >=sys-devel/automake-1.16.1:1.16 >=sys-devel/automake-1.15.1:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4 virtual/fortran +DESCRIPTION=Autotooled, updated version of a powerful, fast semi-empirical package +EAPI=4 +HOMEPAGE=https://sourceforge.net/projects/mopac7/ +IUSE=gmxmopac7 static-libs +KEYWORDS=amd64 ppc x86 ~amd64-linux +LICENSE=public-domain +RDEPEND=dev-libs/libf2c virtual/fortran +SLOT=0 +SRC_URI=http://www.bioinformatics.org/ghemical/download/current/mopac7-1.15.tar.gz http://wwwuser.gwdg.de/~ggroenh/qmmm/mopac/dcart.f http://wwwuser.gwdg.de/~ggroenh/qmmm/mopac/gmxmop.f +_eclasses_=autotools ea7865c8fba1ea8d3639f355fffe1a3c desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 fortran-2 f75a2d9321053acf424991e805f32ede libtool f143db5a74ccd9ca28c1234deffede96 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf +_md5_=a2867fc8118337cc1a30d2814ccbf0cb diff --git a/metadata/md5-cache/sci-chemistry/mopac7-1.15-r1 b/metadata/md5-cache/sci-chemistry/mopac7-1.15-r1 new file mode 100644 index 000000000000..fcfbf4b84483 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/mopac7-1.15-r1 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile install prepare setup +DEPEND=dev-libs/libf2c >=app-portage/elt-patches-20170815 || ( >=sys-devel/automake-1.16.1:1.16 >=sys-devel/automake-1.15.1:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4 virtual/fortran +DESCRIPTION=Autotooled, updated version of a powerful, fast semi-empirical package +EAPI=5 +HOMEPAGE=https://sourceforge.net/projects/mopac7/ +IUSE=gmxmopac7 static-libs +KEYWORDS=~amd64 ~ppc ~x86 ~amd64-linux +LICENSE=public-domain +RDEPEND=dev-libs/libf2c virtual/fortran +SLOT=0 +SRC_URI=http://www.bioinformatics.org/ghemical/download/current/mopac7-1.15.tar.gz http://wwwuser.gwdg.de/~ggroenh/qmmm/mopac/dcart.f http://wwwuser.gwdg.de/~ggroenh/qmmm/mopac/gmxmop.f +_eclasses_=autotools ea7865c8fba1ea8d3639f355fffe1a3c desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 fortran-2 f75a2d9321053acf424991e805f32ede libtool f143db5a74ccd9ca28c1234deffede96 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf +_md5_=67c2c03a32c90685053bf010332b49ca diff --git a/metadata/md5-cache/sci-chemistry/mpqc-2.3.1-r4 b/metadata/md5-cache/sci-chemistry/mpqc-2.3.1-r4 new file mode 100644 index 000000000000..3a12fb185ef0 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/mpqc-2.3.1-r4 @@ -0,0 +1,13 @@ +DEFINED_PHASES=configure install postinst prepare test +DEPEND=virtual/blas virtual/lapack mpi? ( virtual/mpi[cxx] ) tk? ( dev-lang/tk:0 ) dev-lang/perl sys-devel/flex sys-apps/sed virtual/pkgconfig doc? ( app-doc/doxygen media-gfx/graphviz ) >=app-portage/elt-patches-20170815 || ( >=sys-devel/automake-1.16.1:1.16 >=sys-devel/automake-1.15.1:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4 +DESCRIPTION=The Massively Parallel Quantum Chemistry Program +EAPI=6 +HOMEPAGE=http://www.mpqc.org/ +IUSE=doc mpi threads static-libs tk +KEYWORDS=~amd64 ~ppc ~ppc64 ~x86 +LICENSE=GPL-2 +RDEPEND=virtual/blas virtual/lapack mpi? ( virtual/mpi[cxx] ) tk? ( dev-lang/tk:0 ) +SLOT=0 +SRC_URI=mirror://sourceforge/mpqc/mpqc-2.3.1.tar.bz2 +_eclasses_=autotools ea7865c8fba1ea8d3639f355fffe1a3c libtool f143db5a74ccd9ca28c1234deffede96 multilib 1d91b03d42ab6308b5f4f6b598ed110e toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c +_md5_=a765f25fee693dd1943023f3b114039b diff --git a/metadata/md5-cache/sci-chemistry/msms-bin-2.6.1-r1 b/metadata/md5-cache/sci-chemistry/msms-bin-2.6.1-r1 new file mode 100644 index 000000000000..f28f19843b67 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/msms-bin-2.6.1-r1 @@ -0,0 +1,10 @@ +DEFINED_PHASES=install nofetch +DESCRIPTION=MSMS very efficiently computes triangulations of Solvent Excluded Surfaces +EAPI=4 +HOMEPAGE=http://mgl.scripps.edu/people/sanner/html/msms_home.html +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=MSMS +RESTRICT=fetch +SLOT=0 +SRC_URI=amd64? ( msms_i86_64Linux2_2.6.1.tar.gz ) x86? ( msms_i86Linux2_2.6.1.tar.gz ) +_md5_=3e34caffb4c7867665e677de1665ecf3 diff --git a/metadata/md5-cache/sci-chemistry/mustang-3.2.1 b/metadata/md5-cache/sci-chemistry/mustang-3.2.1 new file mode 100644 index 000000000000..d6b887092486 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/mustang-3.2.1 @@ -0,0 +1,10 @@ +DEFINED_PHASES=compile install postinst prepare test +DESCRIPTION=MUltiple STructural AligNment AlGorithm +EAPI=4 +HOMEPAGE=http://www.csse.monash.edu.au/~karun/Site/mustang.html +KEYWORDS=amd64 x86 ~amd64-linux ~x86-linux +LICENSE=BSD +SLOT=0 +SRC_URI=http://www.csse.unimelb.edu.au/~arun/mustang/mustang_v3.2.1.tgz +_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf +_md5_=5d72090d79b79e2f40252236d5fd1a00 diff --git a/metadata/md5-cache/sci-chemistry/mustang-3.2.2 b/metadata/md5-cache/sci-chemistry/mustang-3.2.2 new file mode 100644 index 000000000000..11a79537bbbc --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/mustang-3.2.2 @@ -0,0 +1,10 @@ +DEFINED_PHASES=compile install postinst prepare test +DESCRIPTION=MUltiple STructural AligNment AlGorithm +EAPI=5 +HOMEPAGE=http://www.csse.monash.edu.au/~karun/Site/mustang.html +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=BSD +SLOT=0 +SRC_URI=http://www.csse.monash.edu.au/~karun/mustang/mustang_v3.2.2.tgz +_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf +_md5_=bb9df4c11103cf2d9afb5f1d921b6795 diff --git a/metadata/md5-cache/sci-chemistry/namd-2.10 b/metadata/md5-cache/sci-chemistry/namd-2.10 new file mode 100644 index 000000000000..ec8ea909ab5b --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/namd-2.10 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install nofetch postinst prepare +DEPEND=>=sys-cluster/charm-6.5.1-r2 sci-libs/fftw:3.0 dev-lang/tcl:0= virtual/pkgconfig app-shells/tcsh +DESCRIPTION=A powerful and highly parallelized molecular dynamics code +EAPI=6 +HOMEPAGE=http://www.ks.uiuc.edu/Research/namd/ +KEYWORDS=~amd64 +LICENSE=namd +RDEPEND=>=sys-cluster/charm-6.5.1-r2 sci-libs/fftw:3.0 dev-lang/tcl:0= +RESTRICT=fetch +SLOT=0 +SRC_URI=NAMD_2.10_Source.tar.gz +_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf +_md5_=5967d8717c25e57c994e736572a4beee diff --git a/metadata/md5-cache/sci-chemistry/nmrdepaker-1.0 b/metadata/md5-cache/sci-chemistry/nmrdepaker-1.0 new file mode 100644 index 000000000000..279b05acbcab --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/nmrdepaker-1.0 @@ -0,0 +1,15 @@ +BDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] +DEFINED_PHASES=compile configure install prepare setup test +DEPEND=>=dev-python/matplotlib-0.98.5[gtk2,python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] >=dev-python/numpy-1.2[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] >=dev-python/pygtk-2.12:2[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] +DESCRIPTION=Program to perform NMR spectra 'De-Pake-ing' and moment calculation +EAPI=7 +HOMEPAGE=https://launchpad.net/nmrdepaker +IUSE=python_targets_python2_7 +KEYWORDS=~amd64 +LICENSE=GPL-3+ +RDEPEND=>=dev-python/matplotlib-0.98.5[gtk2,python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] >=dev-python/numpy-1.2[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] >=dev-python/pygtk-2.12:2[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] +REQUIRED_USE=python_targets_python2_7 +SLOT=0 +SRC_URI=https://launchpad.net/nmrdepaker/1.0/1.0/+download/nmrdepaker-1.0.tar.gz +_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d distutils-r1 875cdbd904383003dd58e0ad4068470b multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 python-single-r1 3a0fc81f484bfdbd9c2b7448015a36e4 python-utils-r1 93ff6f0f8518926f2951ca70ce36e887 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c +_md5_=9b8d49de083b0559405aa6a93733cb4c diff --git a/metadata/md5-cache/sci-chemistry/nmrglue-0.5-r1 b/metadata/md5-cache/sci-chemistry/nmrglue-0.5-r1 new file mode 100644 index 000000000000..61b37f081d30 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/nmrglue-0.5-r1 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=test? ( dev-python/matplotlib[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] dev-python/numpy[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] sci-libs/scipy[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] dev-python/nose[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) python_targets_python3_5? ( dev-lang/python:3.5 ) python_targets_python3_6? ( dev-lang/python:3.6 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] +DESCRIPTION=A module for working with NMR data in Python +EAPI=5 +HOMEPAGE=http://nmrglue.com/ +IUSE=test python_targets_python2_7 python_targets_python3_5 python_targets_python3_6 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=BSD +RDEPEND=dev-python/matplotlib[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] dev-python/numpy[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] sci-libs/scipy[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) python_targets_python3_5? ( dev-lang/python:3.5 ) python_targets_python3_6? ( dev-lang/python:3.6 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] +REQUIRED_USE=|| ( python_targets_python2_7 python_targets_python3_5 python_targets_python3_6 ) +SLOT=0 +SRC_URI=https://github.com/jjhelmus/nmrglue/releases/download/v0.5/nmrglue-0.5.tar.gz +_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d distutils-r1 875cdbd904383003dd58e0ad4068470b epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 ltprune 2729691420b6deeda2a90b1f1183fb55 multibuild 40fe59465edacd730c644ec2bc197809 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 preserve-libs ef207dc62baddfddfd39a164d9797648 python-r1 d21193dfc088687e048e829419568096 python-utils-r1 93ff6f0f8518926f2951ca70ce36e887 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=e1406d1bf136a267f31ab9b536307301 diff --git a/metadata/md5-cache/sci-chemistry/numbat-0.999-r1 b/metadata/md5-cache/sci-chemistry/numbat-0.999-r1 new file mode 100644 index 000000000000..27babe2e30f5 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/numbat-0.999-r1 @@ -0,0 +1,12 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=gnome-base/libglade:2.0 sci-libs/gsl x11-libs/gtk+:2 virtual/pkgconfig >=app-portage/elt-patches-20170815 || ( >=sys-devel/automake-1.16.1:1.16 >=sys-devel/automake-1.15.1:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4 +DESCRIPTION=new user-friendly method built for automatic dX-tensor determination +EAPI=5 +HOMEPAGE=http://www.nmr.chem.uu.nl/~christophe/numbat.html +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=GPL-3 +RDEPEND=gnome-base/libglade:2.0 sci-libs/gsl x11-libs/gtk+:2 sci-chemistry/molmol sci-chemistry/pymol sci-visualization/gnuplot +SLOT=0 +SRC_URI=http://comp-bio.anu.edu.au/private/downloads/Numbat/Numbat-0.999.tar.gz +_eclasses_=autotools ea7865c8fba1ea8d3639f355fffe1a3c autotools-utils 95db0904ad0f62535e18e5ccb67cce5e desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 libtool f143db5a74ccd9ca28c1234deffede96 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf +_md5_=3b685285507fad73053fa0418f660969 diff --git a/metadata/md5-cache/sci-chemistry/openbabel-2.4.1 b/metadata/md5-cache/sci-chemistry/openbabel-2.4.1 new file mode 100644 index 000000000000..7cb35ffdee2b --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/openbabel-2.4.1 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install postinst prepare setup test +DEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sci-libs/inchi sys-libs/zlib wxwidgets? ( x11-libs/wxGTK:3.0[X] ) >=dev-util/cmake-2.4.8 doc? ( app-doc/doxygen ) sys-devel/make >=dev-util/cmake-3.9.6 +DESCRIPTION=Interconverts file formats used in molecular modeling +EAPI=6 +HOMEPAGE=http://openbabel.sourceforge.net/ +IUSE=doc openmp test wxwidgets +KEYWORDS=amd64 ~arm x86 ~amd64-linux ~x86-linux ~ppc-macos +LICENSE=GPL-2 +RDEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sci-libs/inchi sys-libs/zlib wxwidgets? ( x11-libs/wxGTK:3.0[X] ) +SLOT=0/5.0.0 +SRC_URI=mirror://sourceforge/openbabel/openbabel-2.4.1.tar.gz +_eclasses_=cmake-utils a5d9146ee60641275d46a91aab93d02f desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf wxwidgets e1e6e1eb5b3d911b3abd712f611e2312 xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=4caa4d1a535fbb669ff9539f77cd1032 diff --git a/metadata/md5-cache/sci-chemistry/openbabel-2.4.1-r1 b/metadata/md5-cache/sci-chemistry/openbabel-2.4.1-r1 new file mode 100644 index 000000000000..f693b1368b8d --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/openbabel-2.4.1-r1 @@ -0,0 +1,14 @@ +BDEPEND=>=dev-util/cmake-2.4.8 doc? ( app-doc/doxygen ) dev-util/ninja >=dev-util/cmake-3.9.6 +DEFINED_PHASES=compile configure install postinst prepare setup test +DEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sci-libs/inchi sys-libs/zlib wxwidgets? ( x11-libs/wxGTK:3.0[X] ) +DESCRIPTION=Interconverts file formats used in molecular modeling +EAPI=7 +HOMEPAGE=http://openbabel.org/wiki/Main_Page +IUSE=doc openmp test wxwidgets +KEYWORDS=~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~ppc-macos +LICENSE=GPL-2 +RDEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sci-libs/inchi sys-libs/zlib wxwidgets? ( x11-libs/wxGTK:3.0[X] ) +SLOT=0/5.0.0 +SRC_URI=mirror://sourceforge/openbabel/openbabel-2.4.1.tar.gz https://openbabel.org/docs/dev/_static/babel130.png -> openbabel.png +_eclasses_=cmake-utils a5d9146ee60641275d46a91aab93d02f desktop b1d22ac8bdd4679ab79c71aca235009d eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c wxwidgets e1e6e1eb5b3d911b3abd712f611e2312 xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=a2fb1f0791ca3793c2942ded1a11304b diff --git a/metadata/md5-cache/sci-chemistry/openbabel-perl-2.4.1 b/metadata/md5-cache/sci-chemistry/openbabel-perl-2.4.1 new file mode 100644 index 000000000000..774e1299d775 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/openbabel-perl-2.4.1 @@ -0,0 +1,12 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=dev-lang/perl:= ~sci-chemistry/openbabel-2.4.1 >=dev-util/cmake-2.4.8 >=dev-lang/swig-2 sys-devel/make >=dev-util/cmake-3.9.6 dev-lang/perl +DESCRIPTION=Perl bindings for OpenBabel +EAPI=6 +HOMEPAGE=http://openbabel.sourceforge.net/ +KEYWORDS=amd64 ~arm x86 ~amd64-linux ~x86-linux +LICENSE=GPL-2 +RDEPEND=dev-lang/perl:= ~sci-chemistry/openbabel-2.4.1 dev-lang/perl:= +SLOT=0/5 +SRC_URI=mirror://sourceforge/openbabel/openbabel-2.4.1.tar.gz +_eclasses_=cmake-utils a5d9146ee60641275d46a91aab93d02f desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f perl-functions 6ec4c4d8fc8324200f1c14e8d158c59b perl-module 97206c028d9bdc9f248e022ac5c9fc83 preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=a91e9cd1c3c738647d120c74e710f8e6 diff --git a/metadata/md5-cache/sci-chemistry/openbabel-python-2.4.1-r1 b/metadata/md5-cache/sci-chemistry/openbabel-python-2.4.1-r1 new file mode 100644 index 000000000000..95ca593794b9 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/openbabel-python-2.4.1-r1 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) python_targets_python3_5? ( dev-lang/python:3.5 ) python_targets_python3_6? ( dev-lang/python:3.6 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] ~sci-chemistry/openbabel-2.4.1 sys-libs/zlib >=dev-lang/swig-2 sys-devel/make >=dev-util/cmake-3.9.6 +DESCRIPTION=Python bindings for OpenBabel (including Pybel) +EAPI=6 +HOMEPAGE=http://openbabel.sourceforge.net/ +IUSE=python_targets_python2_7 python_targets_python3_5 python_targets_python3_6 +KEYWORDS=amd64 ~arm x86 ~amd64-linux ~x86-linux +LICENSE=GPL-2 +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) python_targets_python3_5? ( dev-lang/python:3.5 ) python_targets_python3_6? ( dev-lang/python:3.6 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] ~sci-chemistry/openbabel-2.4.1 sys-libs/zlib +REQUIRED_USE=|| ( python_targets_python2_7 python_targets_python3_5 python_targets_python3_6 ) +SLOT=0/5 +SRC_URI=mirror://sourceforge/openbabel/openbabel-2.4.1.tar.gz +_eclasses_=cmake-utils a5d9146ee60641275d46a91aab93d02f desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 ltprune 2729691420b6deeda2a90b1f1183fb55 multibuild 40fe59465edacd730c644ec2bc197809 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f preserve-libs ef207dc62baddfddfd39a164d9797648 python-r1 d21193dfc088687e048e829419568096 python-utils-r1 93ff6f0f8518926f2951ca70ce36e887 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=08e856f57e97b88bb1028ec6edb864ed diff --git a/metadata/md5-cache/sci-chemistry/ortep3-1.0.3-r1 b/metadata/md5-cache/sci-chemistry/ortep3-1.0.3-r1 new file mode 100644 index 000000000000..5335a1704e0a --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/ortep3-1.0.3-r1 @@ -0,0 +1,12 @@ +DEFINED_PHASES=compile install setup unpack +DEPEND=sci-libs/pgplot x11-libs/libX11 virtual/fortran +DESCRIPTION=Thermal ellipsoid plot program for crystal structure illustrations +EAPI=4 +HOMEPAGE=http://www.ornl.gov/sci/ortep/ +KEYWORDS=~amd64 ~x86 +LICENSE=public-domain +RDEPEND=sci-libs/pgplot x11-libs/libX11 virtual/fortran +SLOT=0 +SRC_URI=ftp://ftp.ornl.gov/pub/ortep/src/ortep.f +_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 fortran-2 f75a2d9321053acf424991e805f32ede ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf +_md5_=dba669fa4ed64bafdc79c126c520526d diff --git a/metadata/md5-cache/sci-chemistry/p3d-0.4.3-r1 b/metadata/md5-cache/sci-chemistry/p3d-0.4.3-r1 new file mode 100644 index 000000000000..cea64a35b9c6 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/p3d-0.4.3-r1 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install prepare test unpack +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +DESCRIPTION=Python module for structural bioinformatics +EAPI=6 +HOMEPAGE=http://p3d.fufezan.net/ +IUSE=examples python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=GPL-3 +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +SLOT=0 +SRC_URI=https://nodeload.github.com/fu/p3d/tarball/0.4.3 -> p3d-0.4.3.tar.gz +_eclasses_=distutils-r1 875cdbd904383003dd58e0ad4068470b estack 43ddf5aaffa7a8d0482df54d25a66a1f multibuild 40fe59465edacd730c644ec2bc197809 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 python-r1 d21193dfc088687e048e829419568096 python-utils-r1 93ff6f0f8518926f2951ca70ce36e887 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-snapshot b1abf460a493fc59ebb25de0df3f09dd versionator 2352c3fc97241f6a02042773c8287748 xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=9e3832010a5347eb6c9e4bba5441e9a5 diff --git a/metadata/md5-cache/sci-chemistry/p3d-9999 b/metadata/md5-cache/sci-chemistry/p3d-9999 new file mode 100644 index 000000000000..98574aa7c50b --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/p3d-9999 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install prepare test unpack +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=dev-vcs/git-1.8.2.1[curl] +DESCRIPTION=Python module for structural bioinformatics +EAPI=6 +HOMEPAGE=http://p3d.fufezan.net/ +IUSE=examples python_targets_python2_7 +LICENSE=GPL-3 +PROPERTIES=live +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +SLOT=0 +_eclasses_=distutils-r1 875cdbd904383003dd58e0ad4068470b estack 43ddf5aaffa7a8d0482df54d25a66a1f git-r3 562b380fc59ae6a8622171d0acb777d1 multibuild 40fe59465edacd730c644ec2bc197809 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 python-r1 d21193dfc088687e048e829419568096 python-utils-r1 93ff6f0f8518926f2951ca70ce36e887 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c versionator 2352c3fc97241f6a02042773c8287748 xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=588877767f6990c41eead2c39b098d8b diff --git a/metadata/md5-cache/sci-chemistry/parassign-20130522 b/metadata/md5-cache/sci-chemistry/parassign-20130522 new file mode 100644 index 000000000000..276062e91ed9 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/parassign-20130522 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/cython[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/matplotlib[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/scientificpython[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-biology/biopython[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-libs/scipy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +DESCRIPTION=Assign protein nuclei solely on the basis of pseudocontact shifts (PCS) +EAPI=5 +HOMEPAGE=http://protchem.lic.leidenuniv.nl/software/parassign/registration +IUSE=python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=Apache-2.0 +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) || ( python_targets_python2_7 ) +RESTRICT=fetch +SLOT=0 +SRC_URI=PARAssign_Linux_x64_86.tgz +_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d distutils-r1 875cdbd904383003dd58e0ad4068470b epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 ltprune 2729691420b6deeda2a90b1f1183fb55 multibuild 40fe59465edacd730c644ec2bc197809 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 preserve-libs ef207dc62baddfddfd39a164d9797648 python-r1 d21193dfc088687e048e829419568096 python-utils-r1 93ff6f0f8518926f2951ca70ce36e887 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=799a8d9a4cdb92870a2de2d603db67e9 diff --git a/metadata/md5-cache/sci-chemistry/pdb-tools-0.2.1-r1 b/metadata/md5-cache/sci-chemistry/pdb-tools-0.2.1-r1 new file mode 100644 index 000000000000..fcd21b74c591 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/pdb-tools-0.2.1-r1 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile install prepare setup +DEPEND=python_single_target_pypy? ( >=virtual/pypy-5:0= ) python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_pypy(-)?,python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_pypy(+)?,python_single_target_python2_7(+)?] virtual/fortran +DESCRIPTION=Tools for manipulating and calculations on wwPDB macromolecule structure files +EAPI=5 +HOMEPAGE=https://github.com/harmslab/pdbtools +IUSE=python_targets_pypy python_targets_python2_7 python_single_target_pypy python_single_target_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=GPL-3 +RDEPEND=python_single_target_pypy? ( >=virtual/pypy-5:0= ) python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_pypy(-)?,python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_pypy(+)?,python_single_target_python2_7(+)?] virtual/fortran +REQUIRED_USE=^^ ( python_single_target_pypy python_single_target_python2_7 ) python_single_target_pypy? ( python_targets_pypy ) python_single_target_python2_7? ( python_targets_python2_7 ) +SLOT=0 +SRC_URI=https://pdb-tools.googlecode.com/files/pdbTools_0.2.1.tar.gz +_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 fortran-2 f75a2d9321053acf424991e805f32ede ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e preserve-libs ef207dc62baddfddfd39a164d9797648 python-single-r1 3a0fc81f484bfdbd9c2b7448015a36e4 python-utils-r1 93ff6f0f8518926f2951ca70ce36e887 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf +_md5_=65e79ac4a3cfe79480b4076c8296ae6d diff --git a/metadata/md5-cache/sci-chemistry/pdb-tools-0.2.1-r2 b/metadata/md5-cache/sci-chemistry/pdb-tools-0.2.1-r2 new file mode 100644 index 000000000000..dd0e5b83233d --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/pdb-tools-0.2.1-r2 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile install prepare setup +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] virtual/fortran +DESCRIPTION=Tools for manipulating and calculations on wwPDB macromolecule structure files +EAPI=5 +HOMEPAGE=https://github.com/harmslab/pdbtools +IUSE=python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=GPL-3 +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] virtual/fortran +REQUIRED_USE=python_targets_python2_7 +SLOT=0 +SRC_URI=https://pdb-tools.googlecode.com/files/pdbTools_0.2.1.tar.gz +_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 fortran-2 f75a2d9321053acf424991e805f32ede ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e preserve-libs ef207dc62baddfddfd39a164d9797648 python-single-r1 3a0fc81f484bfdbd9c2b7448015a36e4 python-utils-r1 93ff6f0f8518926f2951ca70ce36e887 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf +_md5_=6829f5fae8d0bf0ffdef84abe46217bb diff --git a/metadata/md5-cache/sci-chemistry/pdb2pqr-1.9.0-r1 b/metadata/md5-cache/sci-chemistry/pdb2pqr-1.9.0-r1 new file mode 100644 index 000000000000..fcf745affedf --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/pdb2pqr-1.9.0-r1 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install prepare setup test +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-chemistry/openbabel-python[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] opal? ( dev-python/zsi[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) pdb2pka? ( sci-chemistry/apbs[python_targets_python2_7(-)?,-python_single_target_python2_7(-),-mpi] ) dev-lang/swig:0 dev-util/scons[python_targets_python2_7] virtual/fortran +DESCRIPTION=Automated pipeline for performing Poisson-Boltzmann electrostatics calculations +EAPI=5 +HOMEPAGE=http://www.poissonboltzmann.org/ +IUSE=doc examples opal +pdb2pka python_targets_python2_7 +KEYWORDS=amd64 x86 ~amd64-linux ~x86-linux +LICENSE=BSD +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-chemistry/openbabel-python[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] opal? ( dev-python/zsi[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) pdb2pka? ( sci-chemistry/apbs[python_targets_python2_7(-)?,-python_single_target_python2_7(-),-mpi] ) virtual/fortran +REQUIRED_USE=|| ( python_targets_python2_7 ) +SLOT=0 +SRC_URI=https://github.com/Electrostatics/apbs-pdb2pqr/releases/download/pdb2pqr-1.9.0/pdb2pqr-src-1.9.0.tar.gz +_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 fortran-2 f75a2d9321053acf424991e805f32ede ltprune 2729691420b6deeda2a90b1f1183fb55 multibuild 40fe59465edacd730c644ec2bc197809 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 preserve-libs ef207dc62baddfddfd39a164d9797648 python-r1 d21193dfc088687e048e829419568096 python-utils-r1 93ff6f0f8518926f2951ca70ce36e887 scons-utils 741000d14c0b59263aac3f3cf6e39909 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf +_md5_=787e26e15fbbe6ccc3debd3915e303dc diff --git a/metadata/md5-cache/sci-chemistry/pdbcat-1.3 b/metadata/md5-cache/sci-chemistry/pdbcat-1.3 new file mode 100644 index 000000000000..20af160214bd --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/pdbcat-1.3 @@ -0,0 +1,11 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=sys-devel/make >=dev-util/cmake-3.9.6 +DESCRIPTION=Manipulate and process PDB files using tools such as Perl, awk, etc +EAPI=6 +HOMEPAGE=http://www.ks.uiuc.edu/Development/MDTools/pdbcat/ +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=free-noncomm +SLOT=0 +SRC_URI=http://www.ks.uiuc.edu/Development/MDTools/pdbcat/files/pdbcat-1.3.tar.gz +_eclasses_=cmake-utils a5d9146ee60641275d46a91aab93d02f desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=4ebe1185f44e21cb0c7d7cbb291a8b30 diff --git a/metadata/md5-cache/sci-chemistry/pdbcns-2.0.010504 b/metadata/md5-cache/sci-chemistry/pdbcns-2.0.010504 new file mode 100644 index 000000000000..c86bbcb16707 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/pdbcns-2.0.010504 @@ -0,0 +1,10 @@ +DEFINED_PHASES=install +DESCRIPTION=Convert atom names for amino acids/nucleic acid bases between PDB and CNS format +EAPI=4 +HOMEPAGE=http://www.mybiosoftware.com/3d-molecular-model/314/ +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=BSD +RDEPEND=dev-lang/perl +SLOT=0 +SRC_URI=https://dev.gentoo.org/~jlec/distfiles/pdbcns.2.0.010504.perl.tgz +_md5_=89c30d46542bd1560e7c844043f6096c diff --git a/metadata/md5-cache/sci-chemistry/pdbmat-3.89 b/metadata/md5-cache/sci-chemistry/pdbmat-3.89 new file mode 100644 index 000000000000..61993ff8f7bd --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/pdbmat-3.89 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install prepare setup test +DEPEND=sys-devel/make >=dev-util/cmake-3.9.6 virtual/fortran +DESCRIPTION=Calculate Tirion's model from pdb structures +EAPI=6 +HOMEPAGE=http://ecole.modelisation.free.fr/modes.html +IUSE=examples +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=CeCILL-2 +RDEPEND=virtual/fortran +SLOT=0 +SRC_URI=http://ecole.modelisation.free.fr/enm2011.tar.gz -> pdbmat-3.89.tar.gz +_eclasses_=cmake-utils a5d9146ee60641275d46a91aab93d02f desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 fortran-2 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( !dev-python/webpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) +DESCRIPTION=A Python-extensible molecular graphics system +EAPI=7 +HOMEPAGE=http://www.pymol.org/ +IUSE=web python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-macos +LICENSE=PSF-2.2 +RDEPEND=dev-libs/msgpack[cxx] dev-libs/mmtf-cpp dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/pmw:py2[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/pyopengl[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/PyQt5[opengl,python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] media-libs/freetype:2 media-libs/glew:0= media-libs/glm media-libs/libpng:0= media-video/mpeg-tools sys-libs/zlib !sci-chemistry/pymol-apbs-plugin[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] web? ( !dev-python/webpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +RESTRICT=mirror +SLOT=0 +SRC_URI=https://dev.gentoo.org/~jlec/distfiles/pymol-1.8.4.0.png.xz https://github.com/schrodinger/pymol-open-source/archive/v2.3.0.tar.gz -> pymol-2.3.0.tar.gz +_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d distutils-r1 875cdbd904383003dd58e0ad4068470b eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 multibuild 40fe59465edacd730c644ec2bc197809 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 python-r1 d21193dfc088687e048e829419568096 python-utils-r1 93ff6f0f8518926f2951ca70ce36e887 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=0416752abfdb24371f25a3fd29463e85 diff --git a/metadata/md5-cache/sci-chemistry/pymol-plugins-bni-tools-0.27 b/metadata/md5-cache/sci-chemistry/pymol-plugins-bni-tools-0.27 new file mode 100644 index 000000000000..16f5eba0b8d9 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/pymol-plugins-bni-tools-0.27 @@ -0,0 +1,14 @@ +DEFINED_PHASES=install +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] app-arch/unzip +DESCRIPTION=Gives Pymol additional functionalities and presets to the PyMOL GUI +EAPI=5 +HOMEPAGE=http://bni-tools.sourceforge.net/ +IUSE=python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=CNRI +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-chemistry/pymol[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +SLOT=0 +SRC_URI=mirror://sourceforge/bni-tools/bni-tools/bni-tools-0.27/bni-tools-027.zip +_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 ltprune 2729691420b6deeda2a90b1f1183fb55 multibuild 40fe59465edacd730c644ec2bc197809 multilib 1d91b03d42ab6308b5f4f6b598ed110e preserve-libs ef207dc62baddfddfd39a164d9797648 python-r1 d21193dfc088687e048e829419568096 python-utils-r1 93ff6f0f8518926f2951ca70ce36e887 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf versionator 2352c3fc97241f6a02042773c8287748 +_md5_=26e80f9cc26451b29a4f8ca04045008b diff --git a/metadata/md5-cache/sci-chemistry/pymol-plugins-caver-2.1.2 b/metadata/md5-cache/sci-chemistry/pymol-plugins-caver-2.1.2 new file mode 100644 index 000000000000..4a6e6f9c3eb0 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/pymol-plugins-caver-2.1.2 @@ -0,0 +1,15 @@ +DEFINED_PHASES=install nofetch +DEPEND=app-arch/unzip python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +DESCRIPTION=Calculation of pathways of proteins from buried cavities to outside solvent +EAPI=5 +HOMEPAGE=http://loschmidt.chemi.muni.cz/caver/ +IUSE=python_targets_python2_7 elibc_FreeBSD +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=CAVER +RDEPEND=>=virtual/jre-1.6 sci-chemistry/pymol[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +RESTRICT=bindist fetch +SLOT=0 +SRC_URI=Caver2_1_2_pymol_plugin.zip +_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d eapi7-ver 756b3f27d8e46131d5cf3c51bd876446 epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 java-utils-2 82402a1c36ab4bf38f3313a543f9e827 ltprune 2729691420b6deeda2a90b1f1183fb55 multibuild 40fe59465edacd730c644ec2bc197809 multilib 1d91b03d42ab6308b5f4f6b598ed110e preserve-libs ef207dc62baddfddfd39a164d9797648 python-r1 d21193dfc088687e048e829419568096 python-utils-r1 93ff6f0f8518926f2951ca70ce36e887 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf versionator 2352c3fc97241f6a02042773c8287748 +_md5_=1b9276d61c0fdf87a6dac3f8ccebc3f9 diff --git a/metadata/md5-cache/sci-chemistry/pymol-plugins-dssp-110430-r1 b/metadata/md5-cache/sci-chemistry/pymol-plugins-dssp-110430-r1 new file mode 100644 index 000000000000..56d328525764 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/pymol-plugins-dssp-110430-r1 @@ -0,0 +1,14 @@ +DEFINED_PHASES=install prepare +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +DESCRIPTION=DSSP Plugin for PyMOL +EAPI=5 +HOMEPAGE=http://www.biotec.tu-dresden.de/~hongboz/dssp_pymol/dssp_pymol.html +IUSE=python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=BSD pymol +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-chemistry/dssp sci-biology/stride sci-chemistry/pymol[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +SLOT=0 +SRC_URI=https://dev.gentoo.org/~jlec/distfiles/pymol-plugins-dssp-110430.py.xz +_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 ltprune 2729691420b6deeda2a90b1f1183fb55 multibuild 40fe59465edacd730c644ec2bc197809 multilib 1d91b03d42ab6308b5f4f6b598ed110e preserve-libs ef207dc62baddfddfd39a164d9797648 python-r1 d21193dfc088687e048e829419568096 python-utils-r1 93ff6f0f8518926f2951ca70ce36e887 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf +_md5_=79fddf7d3218a4a1abda0a907031f6c7 diff --git a/metadata/md5-cache/sci-chemistry/pymol-plugins-emovie-1.0.4 b/metadata/md5-cache/sci-chemistry/pymol-plugins-emovie-1.0.4 new file mode 100644 index 000000000000..6068b7d7574f --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/pymol-plugins-emovie-1.0.4 @@ -0,0 +1,14 @@ +DEFINED_PHASES=install prepare +DEPEND=app-arch/unzip +DESCRIPTION=PyMOL plugin for convinient movie creation +EAPI=5 +HOMEPAGE=http://www.weizmann.ac.il/ISPC/eMovie.html +IUSE=python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=GPL-2 +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >sci-chemistry/pymol-0.99[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +SLOT=0 +SRC_URI=http://www.weizmann.ac.il/ISPC/eMovie_package.zip +_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 ltprune 2729691420b6deeda2a90b1f1183fb55 multibuild 40fe59465edacd730c644ec2bc197809 multilib 1d91b03d42ab6308b5f4f6b598ed110e preserve-libs ef207dc62baddfddfd39a164d9797648 python-r1 d21193dfc088687e048e829419568096 python-utils-r1 93ff6f0f8518926f2951ca70ce36e887 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf +_md5_=d89f0bb140092b82ce29515f5d5f9698 diff --git a/metadata/md5-cache/sci-chemistry/pymol-plugins-msms-100415-r1 b/metadata/md5-cache/sci-chemistry/pymol-plugins-msms-100415-r1 new file mode 100644 index 000000000000..0a1805c2e49e --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/pymol-plugins-msms-100415-r1 @@ -0,0 +1,14 @@ +DEFINED_PHASES=install prepare unpack +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-chemistry/msms-bin sci-chemistry/pymol[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +DESCRIPTION=GUI for MSMS and displaying its results in PyMOL +EAPI=5 +HOMEPAGE=http://www.biotec.tu-dresden.de/~hongboz/msms_pymol/msms_pymol.html +IUSE=python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=BSD pymol +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-chemistry/msms-bin sci-chemistry/pymol[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +SLOT=0 +SRC_URI=http://www.biotec.tu-dresden.de/~hongboz/msms_pymol/pymol_script/msms_pymol.py -> pymol-plugins-msms-100415.py +_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 ltprune 2729691420b6deeda2a90b1f1183fb55 multibuild 40fe59465edacd730c644ec2bc197809 multilib 1d91b03d42ab6308b5f4f6b598ed110e preserve-libs ef207dc62baddfddfd39a164d9797648 python-r1 d21193dfc088687e048e829419568096 python-utils-r1 93ff6f0f8518926f2951ca70ce36e887 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf +_md5_=b19ae1fbe95c97233447cb0fbefaded1 diff --git a/metadata/md5-cache/sci-chemistry/pymol-plugins-promol-3.0.2-r1 b/metadata/md5-cache/sci-chemistry/pymol-plugins-promol-3.0.2-r1 new file mode 100644 index 000000000000..6dd284ec45e9 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/pymol-plugins-promol-3.0.2-r1 @@ -0,0 +1,14 @@ +DEFINED_PHASES=install prepare +DESCRIPTION=Fast and accurate regognition of active sites +EAPI=5 +HOMEPAGE=http://www.rit.edu/cos/ezviz/ProMOL_dl.html +IUSE=python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux +LICENSE=all-rights-reserved +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/pmw:py2[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-chemistry/pymol[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +RESTRICT=mirror bindist +SLOT=0 +SRC_URI=http://www.rit.edu/cos/ezviz/ProMOL.zip -> pymol-plugins-promol-3.0.2.zip +_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 ltprune 2729691420b6deeda2a90b1f1183fb55 multibuild 40fe59465edacd730c644ec2bc197809 multilib 1d91b03d42ab6308b5f4f6b598ed110e preserve-libs ef207dc62baddfddfd39a164d9797648 python-r1 d21193dfc088687e048e829419568096 python-utils-r1 93ff6f0f8518926f2951ca70ce36e887 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf +_md5_=a94c6c187d30c0bf75acf6d667923cbc diff --git a/metadata/md5-cache/sci-chemistry/pymol-plugins-psico-3.1-r1 b/metadata/md5-cache/sci-chemistry/pymol-plugins-psico-3.1-r1 new file mode 100644 index 000000000000..0979a6a0847a --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/pymol-plugins-psico-3.1-r1 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install postinst prepare test unpack +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +DESCRIPTION=Pymol ScrIpt COllection +EAPI=5 +HOMEPAGE=https://github.com/speleo3/pymol-psico/ +IUSE=minimal python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=BSD-2 +RDEPEND=dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-biology/biopython[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-libs/mmtk[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] sci-chemistry/pymol[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] !minimal? ( media-libs/qhull media-video/mplayer sci-biology/stride sci-chemistry/dssp sci-chemistry/mm-align sci-chemistry/pdbmat sci-chemistry/theseus sci-chemistry/tm-align sci-mathematics/diagrtb ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] +REQUIRED_USE=|| ( python_targets_python2_7 ) +SLOT=0 +SRC_URI=https://github.com/speleo3/pymol-psico/tarball/3.1 -> pymol-plugins-psico-3.1.tar.gz +_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d distutils-r1 875cdbd904383003dd58e0ad4068470b epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 ltprune 2729691420b6deeda2a90b1f1183fb55 multibuild 40fe59465edacd730c644ec2bc197809 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 preserve-libs ef207dc62baddfddfd39a164d9797648 python-r1 d21193dfc088687e048e829419568096 python-utils-r1 93ff6f0f8518926f2951ca70ce36e887 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf vcs-snapshot b1abf460a493fc59ebb25de0df3f09dd xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=43ad844b1f16b243dd59f0b441ca5da8 diff --git a/metadata/md5-cache/sci-chemistry/rasmol-2.7.5.2-r2 b/metadata/md5-cache/sci-chemistry/rasmol-2.7.5.2-r2 new file mode 100644 index 000000000000..af66380db862 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/rasmol-2.7.5.2-r2 @@ -0,0 +1,12 @@ +DEFINED_PHASES=compile install prepare setup +DEPEND=dev-libs/cvector dev-util/gtk-builder-convert >=sci-libs/cbflib-0.9.2 >=sci-libs/cqrlib-1.1.2 >=sci-libs/neartree-3.1.1 x11-libs/cairo x11-libs/gtk+:2 x11-libs/libXext x11-libs/libXi x11-libs/vte:0 app-text/rman x11-base/xorg-proto x11-misc/imake virtual/fortran +DESCRIPTION=Molecular Graphics Visualisation Tool +EAPI=5 +HOMEPAGE=http://www.openrasmol.org/ +KEYWORDS=amd64 x86 ~amd64-linux ~x86-linux +LICENSE=|| ( GPL-2 RASLIC ) +RDEPEND=dev-libs/cvector dev-util/gtk-builder-convert >=sci-libs/cbflib-0.9.2 >=sci-libs/cqrlib-1.1.2 >=sci-libs/neartree-3.1.1 x11-libs/cairo x11-libs/gtk+:2 x11-libs/libXext x11-libs/libXi x11-libs/vte:0 virtual/fortran +SLOT=0 +SRC_URI=mirror://sourceforge/openrasmol/RasMol/RasMol_2.7.5/rasmol-2.7.5.2-13May11.tar.gz +_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 fortran-2 f75a2d9321053acf424991e805f32ede ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e prefix c2993e4c430c1ee24f278983d6189501 preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf +_md5_=8a7375a0ce23cc08c7876397d54ee0c9 diff --git a/metadata/md5-cache/sci-chemistry/raster3d-3.0.2 b/metadata/md5-cache/sci-chemistry/raster3d-3.0.2 new file mode 100644 index 000000000000..f09118e5a516 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/raster3d-3.0.2 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile install postinst prepare setup +DEPEND=tiff? ( media-libs/tiff:0 ) gd? ( media-libs/gd[jpeg,png] ) virtual/fortran +DESCRIPTION=Generation high quality raster images of proteins or other molecules +EAPI=4 +HOMEPAGE=http://www.bmsc.washington.edu/raster3d/raster3d.html +IUSE=gd tiff +KEYWORDS=amd64 ppc x86 ~amd64-linux ~x86-linux +LICENSE=Artistic-2 +RDEPEND=tiff? ( media-libs/tiff:0 ) gd? ( media-libs/gd[jpeg,png] ) virtual/fortran +SLOT=0 +SRC_URI=http://www.bmsc.washington.edu/raster3d/Raster3D_3.0-2.tar.gz -> Raster3D_3.0-2.tar +_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 fortran-2 f75a2d9321053acf424991e805f32ede ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e prefix c2993e4c430c1ee24f278983d6189501 preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf versionator 2352c3fc97241f6a02042773c8287748 +_md5_=a59b1e92082f2d173671dfd85c99cf41 diff --git a/metadata/md5-cache/sci-chemistry/raster3d-3.0.3 b/metadata/md5-cache/sci-chemistry/raster3d-3.0.3 new file mode 100644 index 000000000000..5614172ec302 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/raster3d-3.0.3 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile install postinst prepare setup +DEPEND=tiff? ( media-libs/tiff:0 ) gd? ( media-libs/gd[jpeg,png] ) virtual/fortran +DESCRIPTION=Generation high quality raster images of proteins or other molecules +EAPI=5 +HOMEPAGE=http://www.bmsc.washington.edu/raster3d/raster3d.html +IUSE=gd tiff +KEYWORDS=~amd64 ~ppc ~x86 ~amd64-linux ~x86-linux +LICENSE=Artistic-2 +RDEPEND=tiff? ( media-libs/tiff:0 ) gd? ( media-libs/gd[jpeg,png] ) virtual/fortran +SLOT=0 +SRC_URI=http://www.bmsc.washington.edu/raster3d/Raster3D_3.0-3.tar.gz -> Raster3D_3.0-3.tar +_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 fortran-2 f75a2d9321053acf424991e805f32ede ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e prefix c2993e4c430c1ee24f278983d6189501 preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf versionator 2352c3fc97241f6a02042773c8287748 +_md5_=342cdfa3f027929bf6f5b74156fe7c8e diff --git a/metadata/md5-cache/sci-chemistry/relax-4.0.0-r1 b/metadata/md5-cache/sci-chemistry/relax-4.0.0-r1 new file mode 100644 index 000000000000..76e25fd24b19 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/relax-4.0.0-r1 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile install prepare setup test +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] dev-python/Numdifftools[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] dev-python/matplotlib[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] dev-python/wxpython:3.0[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] sci-chemistry/molmol sci-chemistry/pymol[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] sci-chemistry/vmd >=sci-libs/bmrblib-1.0.3[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] >=sci-libs/minfx-1.0.11[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] sci-libs/scipy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] sci-visualization/grace sci-visualization/opendx x11-libs/wxGTK:3.0[X] media-gfx/pngcrush test? ( python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] dev-python/Numdifftools[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] dev-python/matplotlib[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] dev-python/wxpython:3.0[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] sci-chemistry/molmol sci-chemistry/pymol[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] sci-chemistry/vmd >=sci-libs/bmrblib-1.0.3[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] >=sci-libs/minfx-1.0.11[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] sci-libs/scipy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] sci-visualization/grace sci-visualization/opendx x11-libs/wxGTK:3.0[X] ) dev-util/scons[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] test? ( !prefix? ( x11-base/xorg-server[xvfb] ) x11-apps/xhost ) +DESCRIPTION=Molecular dynamics by NMR data analysis +EAPI=5 +HOMEPAGE=http://www.nmr-relax.com/ +IUSE=test python_targets_python2_7 test +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=GPL-2 +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] dev-python/Numdifftools[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] dev-python/matplotlib[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] dev-python/wxpython:3.0[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] sci-chemistry/molmol sci-chemistry/pymol[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] sci-chemistry/vmd >=sci-libs/bmrblib-1.0.3[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] >=sci-libs/minfx-1.0.11[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] sci-libs/scipy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] sci-visualization/grace sci-visualization/opendx x11-libs/wxGTK:3.0[X] +REQUIRED_USE=python_targets_python2_7 +SLOT=0 +SRC_URI=http://download.gna.org/relax/relax-4.0.0.src.tar.bz2 +_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 preserve-libs ef207dc62baddfddfd39a164d9797648 python-single-r1 3a0fc81f484bfdbd9c2b7448015a36e4 python-utils-r1 93ff6f0f8518926f2951ca70ce36e887 scons-utils 741000d14c0b59263aac3f3cf6e39909 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf virtualx 53625127887b62eabb9ec61d3d943462 wxwidgets e1e6e1eb5b3d911b3abd712f611e2312 +_md5_=a93ba0d630c6f9c5966b92003e43adad diff --git a/metadata/md5-cache/sci-chemistry/shelx-20141228 b/metadata/md5-cache/sci-chemistry/shelx-20141228 new file mode 100644 index 000000000000..cc405cbfca58 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/shelx-20141228 @@ -0,0 +1,10 @@ +DEFINED_PHASES=install nofetch +DESCRIPTION=Crystal structure determination from single-crystal diffraction data +EAPI=5 +HOMEPAGE=http://shelx.uni-ac.gwdg.de/SHELX/ +KEYWORDS=amd64 ppc x86 ~amd64-linux ~x86-linux +LICENSE=free-noncomm +RESTRICT=fetch +SLOT=0 +SRC_URI=amd64? ( anode_amd64.bz2 ciftab_amd64.bz2 shelxc_amd64.bz2 shelxd_amd64.bz2 shelxe_amd64.bz2 shelxl_amd64.bz2 shelxs_amd64.bz2 shelxt_amd64.bz2 shredcif_amd64.bz2 ) x86? ( anode_x86.bz2 ciftab_x86.bz2 shelxc_x86.bz2 shelxd_x86.bz2 shelxe_x86.bz2 shelxl_x86.bz2 shelxs_x86.bz2 shelxt_x86.bz2 shredcif_x86.bz2 ) +_md5_=ae4a7c8630b2618562cdf0891d635c66 diff --git a/metadata/md5-cache/sci-chemistry/sparky-3.115-r2 b/metadata/md5-cache/sci-chemistry/sparky-3.115-r2 new file mode 100644 index 000000000000..bd9ff4e48e1f --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/sparky-3.115-r2 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile install prepare setup +DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] app-shells/tcsh dev-lang/tcl:0= dev-lang/tk:0= +DESCRIPTION=Graphical NMR assignment and integration program for large polymers +EAPI=6 +HOMEPAGE=http://www.cgl.ucsf.edu/home/sparky/ +IUSE=examples python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=sparky +RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[tk] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] app-shells/tcsh dev-lang/tcl:0= dev-lang/tk:0= +REQUIRED_USE=python_targets_python2_7 +RESTRICT=mirror +SLOT=0 +SRC_URI=http://www.cgl.ucsf.edu/home/sparky/distrib-3.115/sparky-source-3.115.tar.gz +_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e prefix c2993e4c430c1ee24f278983d6189501 preserve-libs ef207dc62baddfddfd39a164d9797648 python-single-r1 3a0fc81f484bfdbd9c2b7448015a36e4 python-utils-r1 93ff6f0f8518926f2951ca70ce36e887 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf +_md5_=602d930dbfabc45f0336eb464eeadbdb diff --git a/metadata/md5-cache/sci-chemistry/suitename-0.3.070628 b/metadata/md5-cache/sci-chemistry/suitename-0.3.070628 new file mode 100644 index 000000000000..4a85b43d3d7c --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/suitename-0.3.070628 @@ -0,0 +1,10 @@ +DEFINED_PHASES=compile install prepare +DESCRIPTION=The ROC RNA Ontology nomenclature and conformer-list development +EAPI=4 +HOMEPAGE=http://kinemage.biochem.duke.edu/software/suitename.php +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=richardson +SLOT=0 +SRC_URI=http://kinemage.biochem.duke.edu/downloads/software/suitename/suitename.0.3.070628.src.tgz +_eclasses_=multilib 1d91b03d42ab6308b5f4f6b598ed110e toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c +_md5_=23e3046482e340a86f5452a8901c8c44 diff --git a/metadata/md5-cache/sci-chemistry/surf-1.0 b/metadata/md5-cache/sci-chemistry/surf-1.0 new file mode 100644 index 000000000000..f7975e36dba2 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/surf-1.0 @@ -0,0 +1,11 @@ +DEFINED_PHASES=compile install prepare +DEPEND=!www-client/surf sys-apps/ed x11-misc/makedepend +DESCRIPTION=Solvent accesible Surface calculator +EAPI=4 +HOMEPAGE=http://www.ks.uiuc.edu/ +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux ~x86-macos +LICENSE=SURF +SLOT=0 +SRC_URI=http://www.ks.uiuc.edu/Research/vmd/extsrcs/surf.tar.Z -> surf-1.0.tar.Z +_eclasses_=multilib 1d91b03d42ab6308b5f4f6b598ed110e toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c +_md5_=be5c1c785ddb62111f6835e512a09c89 diff --git a/metadata/md5-cache/sci-chemistry/theseus-2.0.6 b/metadata/md5-cache/sci-chemistry/theseus-2.0.6 new file mode 100644 index 000000000000..b09b7415173f --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/theseus-2.0.6 @@ -0,0 +1,13 @@ +DEFINED_PHASES=install prepare +DEPEND=sci-libs/gsl || ( sci-biology/muscle sci-biology/probcons sci-biology/mafft sci-biology/t-coffee sci-biology/kalign sci-biology/clustalw:2 ) virtual/pkgconfig +DESCRIPTION=Maximum likelihood superpositioning and analysis of macromolecular structures +EAPI=5 +HOMEPAGE=http://www.theseus3d.org/ +IUSE=examples +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=GPL-3 +RDEPEND=sci-libs/gsl || ( sci-biology/muscle sci-biology/probcons sci-biology/mafft sci-biology/t-coffee sci-biology/kalign sci-biology/clustalw:2 ) +SLOT=0 +SRC_URI=http://www.theseus3d.org/src/theseus_2.0.6.tar.gz +_eclasses_=multilib 1d91b03d42ab6308b5f4f6b598ed110e toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c +_md5_=22ffce5b9a0c8872cf80116e05aed37a diff --git a/metadata/md5-cache/sci-chemistry/theseus-3.0.0 b/metadata/md5-cache/sci-chemistry/theseus-3.0.0 new file mode 100644 index 000000000000..da53157fb352 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/theseus-3.0.0 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile install prepare +DEPEND=sci-libs/gsl || ( sci-biology/muscle sci-biology/probcons sci-biology/mafft sci-biology/t-coffee sci-biology/kalign sci-biology/clustalw:2 ) virtual/pkgconfig +DESCRIPTION=Maximum likelihood superpositioning and analysis of macromolecular structures +EAPI=5 +HOMEPAGE=http://www.theseus3d.org/ +IUSE=examples +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=GPL-3 +RDEPEND=sci-libs/gsl || ( sci-biology/muscle sci-biology/probcons sci-biology/mafft sci-biology/t-coffee sci-biology/kalign sci-biology/clustalw:2 ) +SLOT=0 +SRC_URI=http://www.theseus3d.org/src/theseus_3.0.0.tar.gz +_eclasses_=multilib 1d91b03d42ab6308b5f4f6b598ed110e toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c +_md5_=9015e88fbbd5b940ff5995905a47bcbf diff --git a/metadata/md5-cache/sci-chemistry/theseus-3.3.0 b/metadata/md5-cache/sci-chemistry/theseus-3.3.0 new file mode 100644 index 000000000000..7a92ecdba6e9 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/theseus-3.3.0 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile install prepare +DEPEND=sci-libs/gsl || ( sci-biology/muscle sci-biology/probcons sci-biology/mafft sci-biology/t-coffee sci-biology/kalign sci-biology/clustalw:2 ) virtual/pkgconfig +DESCRIPTION=Maximum likelihood superpositioning and analysis of macromolecular structures +EAPI=5 +HOMEPAGE=http://www.theseus3d.org/ +IUSE=examples +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=GPL-3 +RDEPEND=sci-libs/gsl || ( sci-biology/muscle sci-biology/probcons sci-biology/mafft sci-biology/t-coffee sci-biology/kalign sci-biology/clustalw:2 ) +SLOT=0 +SRC_URI=http://www.theseus3d.org/src/theseus_3.3.0.tar.gz +_eclasses_=multilib 1d91b03d42ab6308b5f4f6b598ed110e toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c +_md5_=9015e88fbbd5b940ff5995905a47bcbf diff --git a/metadata/md5-cache/sci-chemistry/threeV-1.2-r1 b/metadata/md5-cache/sci-chemistry/threeV-1.2-r1 new file mode 100644 index 000000000000..1aa0edd5fdc1 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/threeV-1.2-r1 @@ -0,0 +1,11 @@ +DEFINED_PHASES=install prepare +DESCRIPTION=3V: Voss Volume Voxelator +EAPI=6 +HOMEPAGE=http://geometry.molmovdb.org/3v/ +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=GPL-2 +PDEPEND=sci-chemistry/msms-bin +SLOT=0 +SRC_URI=http://geometry.molmovdb.org/3v/3v-1.2.tgz +_eclasses_=multilib 1d91b03d42ab6308b5f4f6b598ed110e toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c +_md5_=5ca6079a9193f10a01a27b188fadd411 diff --git a/metadata/md5-cache/sci-chemistry/tinker-8.2.1 b/metadata/md5-cache/sci-chemistry/tinker-8.2.1 new file mode 100644 index 000000000000..0099f95e5cc0 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/tinker-8.2.1 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile install preinst prepare setup test +DEPEND=>=virtual/jdk-1.6 virtual/fortran java? ( >=dev-java/java-config-2.2.0-r3 ) +DESCRIPTION=Molecular modeling package that includes force fields, such as AMBER and CHARMM +EAPI=6 +HOMEPAGE=http://dasher.wustl.edu/tinker/ +IUSE=examples elibc_FreeBSD java +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=Tinker +RDEPEND=>=sci-libs/fftw-3.2.2-r1[fortran,threads] dev-libs/maloc !sys-apps/bar !dev-util/diffuse >=virtual/jre-1.6 virtual/fortran java? ( >=dev-java/java-config-2.2.0-r3 ) +RESTRICT=mirror +SLOT=0 +SRC_URI=http://dasher.wustl.edu/tinker/downloads/tinker-8.2.1.tar.gz +_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d eapi7-ver 756b3f27d8e46131d5cf3c51bd876446 epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 fortran-2 f75a2d9321053acf424991e805f32ede java-pkg-opt-2 77d2e22d0de7640f817d20e861c0ff3f java-utils-2 82402a1c36ab4bf38f3313a543f9e827 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf versionator 2352c3fc97241f6a02042773c8287748 +_md5_=f5c8e4b651fff9dc3a4d051350f5c72f diff --git a/metadata/md5-cache/sci-chemistry/tm-align-20150914 b/metadata/md5-cache/sci-chemistry/tm-align-20150914 new file mode 100644 index 000000000000..645b647b0be7 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/tm-align-20150914 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install prepare setup test +DEPEND=sys-devel/make >=dev-util/cmake-3.9.6 virtual/fortran +DESCRIPTION=Quick & Accurate Structural Alignment +EAPI=6 +HOMEPAGE=http://zhanglab.ccmb.med.umich.edu/TM-align/ +IUSE=custom-cflags static +KEYWORDS=amd64 ppc ppc64 x86 ~amd64-linux ~x86-linux +LICENSE=tm-align +RDEPEND=virtual/fortran +SLOT=0 +SRC_URI=http://zhanglab.ccmb.med.umich.edu/TM-align/TMtools20150914.tar.gz +_eclasses_=cmake-utils a5d9146ee60641275d46a91aab93d02f desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 fortran-2 f75a2d9321053acf424991e805f32ede ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=b2861c00ea1789213f819316513af081 diff --git a/metadata/md5-cache/sci-chemistry/viewmol-2.4.1-r3 b/metadata/md5-cache/sci-chemistry/viewmol-2.4.1-r3 new file mode 100644 index 000000000000..5ebf2e9f17b4 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/viewmol-2.4.1-r3 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile install prepare setup +DEPEND=media-libs/libpng:0= media-libs/tiff:0 virtual/glu virtual/opengl x11-libs/libX11 x11-libs/libXi x11-libs/libXmu x11-libs/libXt x11-libs/motif:0 python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[tk(-)] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] x11-base/xorg-proto +DESCRIPTION=Open-source graphical front end for computational chemistry programs +EAPI=6 +HOMEPAGE=http://viewmol.sourceforge.net/ +IUSE=python_targets_python2_7 +KEYWORDS=~amd64 ~x86 +LICENSE=GPL-2 +RDEPEND=media-libs/libpng:0= media-libs/tiff:0 virtual/glu virtual/opengl x11-libs/libX11 x11-libs/libXi x11-libs/libXmu x11-libs/libXt x11-libs/motif:0 python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[tk(-)] ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] +REQUIRED_USE=python_targets_python2_7 +SLOT=0 +SRC_URI=mirror://sourceforge/viewmol/viewmol-2.4.1.src.tgz +_eclasses_=multilib 1d91b03d42ab6308b5f4f6b598ed110e prefix c2993e4c430c1ee24f278983d6189501 python-single-r1 3a0fc81f484bfdbd9c2b7448015a36e4 python-utils-r1 93ff6f0f8518926f2951ca70ce36e887 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c +_md5_=5c16e9f922010a805910e336d46f96ba diff --git a/metadata/md5-cache/sci-chemistry/vmd-1.9.2 b/metadata/md5-cache/sci-chemistry/vmd-1.9.2 new file mode 100644 index 000000000000..bf6aa36ce0b9 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/vmd-1.9.2 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile configure install nofetch prepare setup +DEPEND=>=dev-lang/tk-8.6.1 dev-lang/perl dev-libs/expat dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] sci-libs/netcdf:0= virtual/opengl >=x11-libs/fltk-1.1.10-r2:1 x11-libs/libXft x11-libs/libXi python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= ) gromacs? ( >=sci-chemistry/gromacs-5.0.4-r1[tng] ) sqlite? ( dev-db/sqlite:3= ) tachyon? ( >=media-gfx/tachyon-0.99_beta6 ) xinerama? ( x11-libs/libXinerama ) virtual/pkgconfig dev-lang/swig +DESCRIPTION=Visual Molecular Dynamics +EAPI=5 +HOMEPAGE=http://www.ks.uiuc.edu/Research/vmd/ +IUSE=cuda gromacs msms povray sqlite tachyon xinerama python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=vmd +RDEPEND=>=dev-lang/tk-8.6.1 dev-lang/perl dev-libs/expat dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] sci-libs/netcdf:0= virtual/opengl >=x11-libs/fltk-1.1.10-r2:1 x11-libs/libXft x11-libs/libXi python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= ) gromacs? ( >=sci-chemistry/gromacs-5.0.4-r1[tng] ) sqlite? ( dev-db/sqlite:3= ) tachyon? ( >=media-gfx/tachyon-0.99_beta6 ) xinerama? ( x11-libs/libXinerama ) sci-biology/stride sci-chemistry/surf x11-terms/xterm msms? ( sci-chemistry/msms-bin ) povray? ( media-gfx/povray ) +REQUIRED_USE=python_targets_python2_7 +RESTRICT=fetch +SLOT=0 +SRC_URI=https://dev.gentoo.org/~jlec/distfiles/vmd-1.9.2-gentoo-patches.tar.xz vmd-1.9.2.src.tar.gz +_eclasses_=cuda bb861e5221b7272ac90c2f12791c1e66 desktop b1d22ac8bdd4679ab79c71aca235009d eapi7-ver 756b3f27d8e46131d5cf3c51bd876446 epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e prefix c2993e4c430c1ee24f278983d6189501 preserve-libs ef207dc62baddfddfd39a164d9797648 python-single-r1 3a0fc81f484bfdbd9c2b7448015a36e4 python-utils-r1 93ff6f0f8518926f2951ca70ce36e887 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf +_md5_=3b3602d69781423798c32266c3e13c12 diff --git a/metadata/md5-cache/sci-chemistry/vmd-1.9.3 b/metadata/md5-cache/sci-chemistry/vmd-1.9.3 new file mode 100644 index 000000000000..c1bd77b25ddd --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/vmd-1.9.3 @@ -0,0 +1,15 @@ +DEFINED_PHASES=compile configure install nofetch prepare setup +DEPEND=>=dev-lang/tk-8.6.1 dev-lang/perl dev-libs/expat dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] sci-libs/netcdf:0= virtual/opengl >=x11-libs/fltk-1.1.10-r2:1 x11-libs/libXft x11-libs/libXi python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= ) gromacs? ( >=sci-chemistry/gromacs-5.0.4-r1:0=[tng] ) sqlite? ( dev-db/sqlite:3= ) tachyon? ( >=media-gfx/tachyon-0.99_beta6 ) xinerama? ( x11-libs/libXinerama ) virtual/pkgconfig dev-lang/swig +DESCRIPTION=Visual Molecular Dynamics +EAPI=5 +HOMEPAGE=http://www.ks.uiuc.edu/Research/vmd/ +IUSE=cuda gromacs msms povray sqlite tachyon xinerama python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=vmd +RDEPEND=>=dev-lang/tk-8.6.1 dev-lang/perl dev-libs/expat dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] sci-libs/netcdf:0= virtual/opengl >=x11-libs/fltk-1.1.10-r2:1 x11-libs/libXft x11-libs/libXi python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= ) gromacs? ( >=sci-chemistry/gromacs-5.0.4-r1:0=[tng] ) sqlite? ( dev-db/sqlite:3= ) tachyon? ( >=media-gfx/tachyon-0.99_beta6 ) xinerama? ( x11-libs/libXinerama ) sci-biology/stride sci-chemistry/surf x11-terms/xterm msms? ( sci-chemistry/msms-bin ) povray? ( media-gfx/povray ) +REQUIRED_USE=python_targets_python2_7 +RESTRICT=fetch +SLOT=0 +SRC_URI=https://dev.gentoo.org/~jlec/distfiles/vmd-1.9.3-gentoo-patches.tar.xz vmd-1.9.3.src.tar +_eclasses_=cuda bb861e5221b7272ac90c2f12791c1e66 desktop b1d22ac8bdd4679ab79c71aca235009d eapi7-ver 756b3f27d8e46131d5cf3c51bd876446 epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e prefix c2993e4c430c1ee24f278983d6189501 preserve-libs ef207dc62baddfddfd39a164d9797648 python-single-r1 3a0fc81f484bfdbd9c2b7448015a36e4 python-utils-r1 93ff6f0f8518926f2951ca70ce36e887 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf +_md5_=d79e8d4e511d4caa002c923a4036b9ca diff --git a/metadata/md5-cache/sci-chemistry/vmd-1.9.3-r1 b/metadata/md5-cache/sci-chemistry/vmd-1.9.3-r1 new file mode 100644 index 000000000000..6f2e3a7d4874 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/vmd-1.9.3-r1 @@ -0,0 +1,16 @@ +BDEPEND=virtual/pkgconfig dev-lang/swig +DEFINED_PHASES=compile configure install nofetch prepare setup +DEPEND=>=dev-lang/tk-8.6.1:0= dev-lang/perl dev-libs/expat dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] sci-libs/netcdf:0= virtual/opengl >=x11-libs/fltk-1.1.10-r2:1 x11-libs/libXft x11-libs/libXi python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= ) gromacs? ( >=sci-chemistry/gromacs-5.0.4-r1:0=[tng] ) sqlite? ( dev-db/sqlite:3= ) tachyon? ( >=media-gfx/tachyon-0.99_beta6 ) xinerama? ( x11-libs/libXinerama ) +DESCRIPTION=Visual Molecular Dynamics +EAPI=7 +HOMEPAGE=http://www.ks.uiuc.edu/Research/vmd/ +IUSE=cuda gromacs msms povray sqlite tachyon xinerama python_targets_python2_7 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=vmd +RDEPEND=>=dev-lang/tk-8.6.1:0= dev-lang/perl dev-libs/expat dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] sci-libs/netcdf:0= virtual/opengl >=x11-libs/fltk-1.1.10-r2:1 x11-libs/libXft x11-libs/libXi python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)] cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= ) gromacs? ( >=sci-chemistry/gromacs-5.0.4-r1:0=[tng] ) sqlite? ( dev-db/sqlite:3= ) tachyon? ( >=media-gfx/tachyon-0.99_beta6 ) xinerama? ( x11-libs/libXinerama ) sci-biology/stride sci-chemistry/surf x11-terms/xterm msms? ( sci-chemistry/msms-bin ) povray? ( media-gfx/povray ) +REQUIRED_USE=python_targets_python2_7 +RESTRICT=fetch +SLOT=0 +SRC_URI=https://dev.gentoo.org/~jlec/distfiles/vmd-1.9.3-gentoo-patches.tar.xz vmd-1.9.3.src.tar +_eclasses_=cuda bb861e5221b7272ac90c2f12791c1e66 desktop b1d22ac8bdd4679ab79c71aca235009d eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 multilib 1d91b03d42ab6308b5f4f6b598ed110e prefix c2993e4c430c1ee24f278983d6189501 python-single-r1 3a0fc81f484bfdbd9c2b7448015a36e4 python-utils-r1 93ff6f0f8518926f2951ca70ce36e887 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c +_md5_=31b621c2df338245164f87c909dae1df diff --git a/metadata/md5-cache/sci-chemistry/votca-csg-1.4 b/metadata/md5-cache/sci-chemistry/votca-csg-1.4 new file mode 100644 index 000000000000..7dd5693f0426 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/votca-csg-1.4 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install postinst prepare test unpack +DEPEND=~sci-libs/votca-tools-1.4 gromacs? ( <sci-chemistry/gromacs-2019_beta1:= ) hdf5? ( sci-libs/hdf5 ) dev-lang/perl app-shells/bash:* doc? ( app-doc/doxygen[dot] dev-texlive/texlive-latexextra virtual/latex-base dev-tex/pgf ) >=app-text/txt2tags-2.5 virtual/pkgconfig dev-util/ninja >=dev-util/cmake-3.9.6 +DESCRIPTION=Votca coarse-graining engine +EAPI=6 +HOMEPAGE=http://www.votca.org +IUSE=doc examples extras +gromacs hdf5 +KEYWORDS=amd64 x86 ~amd64-linux ~x86-macos +LICENSE=Apache-2.0 +PDEPEND=extras? ( ~sci-chemistry/votca-csgapps-1.4 ) +RDEPEND=~sci-libs/votca-tools-1.4 gromacs? ( <sci-chemistry/gromacs-2019_beta1:= ) hdf5? ( sci-libs/hdf5 ) dev-lang/perl app-shells/bash:* +SLOT=0 +SRC_URI=https://github.com/votca/csg/archive/v1.4.tar.gz -> votca-csg-1.4.tar.gz doc? ( https://github.com/votca/csg-manual/releases/download/v1.4/votca-csg-manual-1.4.pdf ) examples? ( https://github.com/votca/csg-tutorials/archive/v1.4.tar.gz -> votca-csg-tutorials-1.4.tar.gz ) +_eclasses_=bash-completion-r1 47a7402d95930413ce25ba8d857339bb cmake-utils a5d9146ee60641275d46a91aab93d02f desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=61ada0acfd596ca6af59368970e8cc1b diff --git a/metadata/md5-cache/sci-chemistry/votca-csg-1.4.1 b/metadata/md5-cache/sci-chemistry/votca-csg-1.4.1 new file mode 100644 index 000000000000..9ed5c96803e1 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/votca-csg-1.4.1 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install postinst prepare test unpack +DEPEND=~sci-libs/votca-tools-1.4.1 gromacs? ( <sci-chemistry/gromacs-2019_beta1:= ) hdf5? ( sci-libs/hdf5 ) dev-lang/perl app-shells/bash:* doc? ( app-doc/doxygen[dot] dev-texlive/texlive-latexextra virtual/latex-base dev-tex/pgf ) >=app-text/txt2tags-2.5 virtual/pkgconfig dev-util/ninja >=dev-util/cmake-3.9.6 +DESCRIPTION=Votca coarse-graining engine +EAPI=6 +HOMEPAGE=http://www.votca.org +IUSE=doc examples extras +gromacs hdf5 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-macos +LICENSE=Apache-2.0 +PDEPEND=extras? ( ~sci-chemistry/votca-csgapps-1.4.1 ) +RDEPEND=~sci-libs/votca-tools-1.4.1 gromacs? ( <sci-chemistry/gromacs-2019_beta1:= ) hdf5? ( sci-libs/hdf5 ) dev-lang/perl app-shells/bash:* +SLOT=0 +SRC_URI=https://github.com/votca/csg/archive/v1.4.1.tar.gz -> votca-csg-1.4.1.tar.gz doc? ( https://github.com/votca/csg-manual/releases/download/v1.4.1/votca-csg-manual-1.4.1.pdf ) examples? ( https://github.com/votca/csg-tutorials/archive/v1.4.1.tar.gz -> votca-csg-tutorials-1.4.1.tar.gz ) +_eclasses_=bash-completion-r1 47a7402d95930413ce25ba8d857339bb cmake-utils a5d9146ee60641275d46a91aab93d02f desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=d8f2e1fd956a91bab5b6362b6a38318a diff --git a/metadata/md5-cache/sci-chemistry/votca-csg-1.5 b/metadata/md5-cache/sci-chemistry/votca-csg-1.5 new file mode 100644 index 000000000000..1bd72db31716 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/votca-csg-1.5 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install postinst prepare test unpack +DEPEND=~sci-libs/votca-tools-1.5 >=dev-cpp/eigen-3.3 gromacs? ( sci-chemistry/gromacs:= ) hdf5? ( sci-libs/hdf5 ) dev-lang/perl app-shells/bash:* doc? ( app-doc/doxygen[dot] dev-texlive/texlive-latexextra virtual/latex-base dev-tex/pgf ) >=app-text/txt2tags-2.5 virtual/pkgconfig dev-util/ninja >=dev-util/cmake-3.9.6 +DESCRIPTION=Votca coarse-graining engine +EAPI=6 +HOMEPAGE=http://www.votca.org +IUSE=doc examples extras +gromacs hdf5 +KEYWORDS=amd64 ~x86 ~amd64-linux ~x86-macos +LICENSE=Apache-2.0 +PDEPEND=extras? ( ~sci-chemistry/votca-csgapps-1.5 ) +RDEPEND=~sci-libs/votca-tools-1.5 >=dev-cpp/eigen-3.3 gromacs? ( sci-chemistry/gromacs:= ) hdf5? ( sci-libs/hdf5 ) dev-lang/perl app-shells/bash:* +SLOT=0 +SRC_URI=https://github.com/votca/csg/archive/v1.5.tar.gz -> votca-csg-1.5.tar.gz doc? ( https://github.com/votca/csg-manual/releases/download/v1.5/votca-csg-manual-1.5.pdf ) examples? ( https://github.com/votca/csg-tutorials/archive/v1.5.tar.gz -> votca-csg-tutorials-1.5.tar.gz ) +_eclasses_=bash-completion-r1 47a7402d95930413ce25ba8d857339bb cmake-utils a5d9146ee60641275d46a91aab93d02f desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=9bbc12407ca5849d84595a45568c7473 diff --git a/metadata/md5-cache/sci-chemistry/votca-csg-1.5.1 b/metadata/md5-cache/sci-chemistry/votca-csg-1.5.1 new file mode 100644 index 000000000000..bf0a819a2fe1 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/votca-csg-1.5.1 @@ -0,0 +1,14 @@ +DEFINED_PHASES=compile configure install postinst prepare test unpack +DEPEND=~sci-libs/votca-tools-1.5.1 >=dev-cpp/eigen-3.3 gromacs? ( sci-chemistry/gromacs:= ) hdf5? ( sci-libs/hdf5 ) dev-lang/perl app-shells/bash:* doc? ( app-doc/doxygen[dot] dev-texlive/texlive-latexextra virtual/latex-base dev-tex/pgf ) >=app-text/txt2tags-2.5 virtual/pkgconfig dev-util/ninja >=dev-util/cmake-3.9.6 +DESCRIPTION=Votca coarse-graining engine +EAPI=6 +HOMEPAGE=http://www.votca.org +IUSE=doc examples extras +gromacs hdf5 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-macos +LICENSE=Apache-2.0 +PDEPEND=extras? ( ~sci-chemistry/votca-csgapps-1.5.1 ) +RDEPEND=~sci-libs/votca-tools-1.5.1 >=dev-cpp/eigen-3.3 gromacs? ( sci-chemistry/gromacs:= ) hdf5? ( sci-libs/hdf5 ) dev-lang/perl app-shells/bash:* +SLOT=0 +SRC_URI=https://github.com/votca/csg/archive/v1.5.1.tar.gz -> votca-csg-1.5.1.tar.gz doc? ( https://github.com/votca/csg-manual/releases/download/v1.5.1/votca-csg-manual-1.5.1.pdf ) examples? ( https://github.com/votca/csg-tutorials/archive/v1.5.1.tar.gz -> votca-csg-tutorials-1.5.1.tar.gz ) +_eclasses_=bash-completion-r1 47a7402d95930413ce25ba8d857339bb cmake-utils a5d9146ee60641275d46a91aab93d02f desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=490c056f51441578700543789b925e61 diff --git a/metadata/md5-cache/sci-chemistry/votca-csg-9999 b/metadata/md5-cache/sci-chemistry/votca-csg-9999 new file mode 100644 index 000000000000..c9cafd3b94df --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/votca-csg-9999 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install postinst prepare test unpack +DEPEND=~sci-libs/votca-tools-9999 >=dev-cpp/eigen-3.3 gromacs? ( sci-chemistry/gromacs:= ) hdf5? ( sci-libs/hdf5 ) dev-lang/perl app-shells/bash:* doc? ( app-doc/doxygen[dot] dev-texlive/texlive-latexextra virtual/latex-base dev-tex/pgf ) >=app-text/txt2tags-2.5 virtual/pkgconfig dev-util/ninja >=dev-util/cmake-3.9.6 >=dev-vcs/git-1.8.2.1[curl] +DESCRIPTION=Votca coarse-graining engine +EAPI=6 +HOMEPAGE=http://www.votca.org +IUSE=doc examples extras +gromacs hdf5 +LICENSE=Apache-2.0 +PDEPEND=extras? ( ~sci-chemistry/votca-csgapps-9999 ) doc? ( ~app-doc/votca-csg-manual-9999 ) +PROPERTIES=live +RDEPEND=~sci-libs/votca-tools-9999 >=dev-cpp/eigen-3.3 gromacs? ( sci-chemistry/gromacs:= ) hdf5? ( sci-libs/hdf5 ) dev-lang/perl app-shells/bash:* +SLOT=0 +_eclasses_=bash-completion-r1 47a7402d95930413ce25ba8d857339bb cmake-utils a5d9146ee60641275d46a91aab93d02f desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 git-r3 562b380fc59ae6a8622171d0acb777d1 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=bdd06b650d94bc3625c15f01b70abbe9 diff --git a/metadata/md5-cache/sci-chemistry/votca-csgapps-1.4 b/metadata/md5-cache/sci-chemistry/votca-csgapps-1.4 new file mode 100644 index 000000000000..c1c8d936f273 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/votca-csgapps-1.4 @@ -0,0 +1,12 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=~sci-chemistry/votca-csg-1.4 dev-util/ninja >=dev-util/cmake-3.9.6 +DESCRIPTION=Extra applications for votca-csg +EAPI=6 +HOMEPAGE=http://www.votca.org +KEYWORDS=amd64 x86 ~amd64-linux ~x86-macos +LICENSE=Apache-2.0 +RDEPEND=~sci-chemistry/votca-csg-1.4 +SLOT=0 +SRC_URI=https://github.com/votca/csgapps/archive/v1.4.tar.gz -> votca-csgapps-1.4.tar.gz +_eclasses_=cmake-utils a5d9146ee60641275d46a91aab93d02f desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=c5ea9cb22c7ea08a3e5de84db8643c58 diff --git a/metadata/md5-cache/sci-chemistry/votca-csgapps-1.4.1 b/metadata/md5-cache/sci-chemistry/votca-csgapps-1.4.1 new file mode 100644 index 000000000000..ed889391d365 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/votca-csgapps-1.4.1 @@ -0,0 +1,12 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=~sci-chemistry/votca-csg-1.4.1 dev-util/ninja >=dev-util/cmake-3.9.6 +DESCRIPTION=Extra applications for votca-csg +EAPI=6 +HOMEPAGE=http://www.votca.org +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-macos +LICENSE=Apache-2.0 +RDEPEND=~sci-chemistry/votca-csg-1.4.1 +SLOT=0 +SRC_URI=https://github.com/votca/csgapps/archive/v1.4.1.tar.gz -> votca-csgapps-1.4.1.tar.gz +_eclasses_=cmake-utils a5d9146ee60641275d46a91aab93d02f desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=8bd22e15b79424c684c4f8e614b48065 diff --git a/metadata/md5-cache/sci-chemistry/votca-csgapps-1.5 b/metadata/md5-cache/sci-chemistry/votca-csgapps-1.5 new file mode 100644 index 000000000000..14963e11f785 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/votca-csgapps-1.5 @@ -0,0 +1,12 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=>=dev-cpp/eigen-3.3 ~sci-chemistry/votca-csg-1.5 dev-util/ninja >=dev-util/cmake-3.9.6 +DESCRIPTION=Extra applications for votca-csg +EAPI=6 +HOMEPAGE=http://www.votca.org +KEYWORDS=amd64 ~x86 ~amd64-linux ~x86-macos +LICENSE=Apache-2.0 +RDEPEND=>=dev-cpp/eigen-3.3 ~sci-chemistry/votca-csg-1.5 +SLOT=0 +SRC_URI=https://github.com/votca/csgapps/archive/v1.5.tar.gz -> votca-csgapps-1.5.tar.gz +_eclasses_=cmake-utils a5d9146ee60641275d46a91aab93d02f desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=e782f038fb614ce4b9141b2cfc997084 diff --git a/metadata/md5-cache/sci-chemistry/votca-csgapps-1.5.1 b/metadata/md5-cache/sci-chemistry/votca-csgapps-1.5.1 new file mode 100644 index 000000000000..535b31998051 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/votca-csgapps-1.5.1 @@ -0,0 +1,12 @@ +DEFINED_PHASES=compile configure install prepare test +DEPEND=>=dev-cpp/eigen-3.3 ~sci-chemistry/votca-csg-1.5.1 dev-util/ninja >=dev-util/cmake-3.9.6 +DESCRIPTION=Extra applications for votca-csg +EAPI=6 +HOMEPAGE=http://www.votca.org +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-macos +LICENSE=Apache-2.0 +RDEPEND=>=dev-cpp/eigen-3.3 ~sci-chemistry/votca-csg-1.5.1 +SLOT=0 +SRC_URI=https://github.com/votca/csgapps/archive/v1.5.1.tar.gz -> votca-csgapps-1.5.1.tar.gz +_eclasses_=cmake-utils a5d9146ee60641275d46a91aab93d02f desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=6ce6a086a60682d385eb99cf848d3fa8 diff --git a/metadata/md5-cache/sci-chemistry/votca-csgapps-9999 b/metadata/md5-cache/sci-chemistry/votca-csgapps-9999 new file mode 100644 index 000000000000..ba507c75002e --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/votca-csgapps-9999 @@ -0,0 +1,11 @@ +DEFINED_PHASES=compile configure install prepare test unpack +DEPEND=>=dev-cpp/eigen-3.3 ~sci-chemistry/votca-csg-9999 dev-util/ninja >=dev-util/cmake-3.9.6 >=dev-vcs/git-1.8.2.1[curl] +DESCRIPTION=Extra applications for votca-csg +EAPI=6 +HOMEPAGE=http://www.votca.org +LICENSE=Apache-2.0 +PROPERTIES=live +RDEPEND=>=dev-cpp/eigen-3.3 ~sci-chemistry/votca-csg-9999 +SLOT=0 +_eclasses_=cmake-utils a5d9146ee60641275d46a91aab93d02f desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 git-r3 562b380fc59ae6a8622171d0acb777d1 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=403bca33fe7ac577357d991b9d0d8612 diff --git a/metadata/md5-cache/sci-chemistry/votca-ctp-1.5 b/metadata/md5-cache/sci-chemistry/votca-ctp-1.5 new file mode 100644 index 000000000000..c65bed0e3d44 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/votca-ctp-1.5 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install postinst prepare test +DEPEND=~sci-libs/votca-tools-1.5[sqlite] >=dev-cpp/eigen-3.3 sci-libs/gsl ~sci-chemistry/votca-csg-1.5 virtual/pkgconfig doc? ( app-doc/doxygen[dot] dev-texlive/texlive-latexextra virtual/latex-base dev-tex/pgf ) dev-util/ninja >=dev-util/cmake-3.9.6 +DESCRIPTION=Votca charge transport module +EAPI=6 +HOMEPAGE=http://www.votca.org +IUSE=doc +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-macos +LICENSE=Apache-2.0 +RDEPEND=~sci-libs/votca-tools-1.5[sqlite] >=dev-cpp/eigen-3.3 sci-libs/gsl ~sci-chemistry/votca-csg-1.5 +SLOT=0 +SRC_URI=https://github.com/votca/ctp/archive/v1.5.tar.gz -> votca-ctp-1.5.tar.gz doc? ( https://github.com/votca/ctp/releases/download/v1.5/votca-ctp-manual-1.5.pdf ) +_eclasses_=cmake-utils a5d9146ee60641275d46a91aab93d02f desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=0f2d05a8cc9ad3965f17a47f63ee22f0 diff --git a/metadata/md5-cache/sci-chemistry/votca-ctp-1.5.1 b/metadata/md5-cache/sci-chemistry/votca-ctp-1.5.1 new file mode 100644 index 000000000000..1d221ffdc03a --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/votca-ctp-1.5.1 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install postinst prepare test +DEPEND=~sci-libs/votca-tools-1.5.1[sqlite] >=dev-cpp/eigen-3.3 sci-libs/gsl ~sci-chemistry/votca-csg-1.5.1 virtual/pkgconfig doc? ( app-doc/doxygen[dot] dev-texlive/texlive-latexextra virtual/latex-base dev-tex/pgf ) dev-util/ninja >=dev-util/cmake-3.9.6 +DESCRIPTION=Votca charge transport module +EAPI=6 +HOMEPAGE=http://www.votca.org +IUSE=doc +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-macos +LICENSE=Apache-2.0 +RDEPEND=~sci-libs/votca-tools-1.5.1[sqlite] >=dev-cpp/eigen-3.3 sci-libs/gsl ~sci-chemistry/votca-csg-1.5.1 +SLOT=0 +SRC_URI=https://github.com/votca/ctp/archive/v1.5.1.tar.gz -> votca-ctp-1.5.1.tar.gz doc? ( https://github.com/votca/ctp/releases/download/v1.5.1/votca-ctp-manual-1.5.1.pdf ) +_eclasses_=cmake-utils a5d9146ee60641275d46a91aab93d02f desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=0f2d05a8cc9ad3965f17a47f63ee22f0 diff --git a/metadata/md5-cache/sci-chemistry/votca-ctp-9999 b/metadata/md5-cache/sci-chemistry/votca-ctp-9999 new file mode 100644 index 000000000000..47a1d5a8c782 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/votca-ctp-9999 @@ -0,0 +1,12 @@ +DEFINED_PHASES=compile configure install postinst prepare test unpack +DEPEND=~sci-libs/votca-tools-9999[sqlite] >=dev-cpp/eigen-3.3 sci-libs/gsl ~sci-chemistry/votca-csg-9999 virtual/pkgconfig dev-util/ninja >=dev-util/cmake-3.9.6 >=dev-vcs/git-1.8.2.1[curl] +DESCRIPTION=Votca charge transport module +EAPI=6 +HOMEPAGE=http://www.votca.org +IUSE=doc +LICENSE=Apache-2.0 +PROPERTIES=live +RDEPEND=~sci-libs/votca-tools-9999[sqlite] >=dev-cpp/eigen-3.3 sci-libs/gsl ~sci-chemistry/votca-csg-9999 +SLOT=0 +_eclasses_=cmake-utils a5d9146ee60641275d46a91aab93d02f desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 git-r3 562b380fc59ae6a8622171d0acb777d1 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=0f2d05a8cc9ad3965f17a47f63ee22f0 diff --git a/metadata/md5-cache/sci-chemistry/votca-xtp-1.4 b/metadata/md5-cache/sci-chemistry/votca-xtp-1.4 new file mode 100644 index 000000000000..d4f2faa0ccef --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/votca-xtp-1.4 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install postinst prepare test +DEPEND=~sci-libs/votca-tools-1.4[sqlite] ~sci-chemistry/votca-csg-1.4 doc? ( app-doc/doxygen[dot] dev-texlive/texlive-latexextra virtual/latex-base dev-tex/pgf ) >=app-text/txt2tags-2.5 virtual/pkgconfig dev-util/ninja >=dev-util/cmake-3.9.6 +DESCRIPTION=Votca excitation and charge properties module +EAPI=6 +HOMEPAGE=http://www.votca.org +IUSE=doc +KEYWORDS=amd64 x86 ~amd64-linux ~x86-macos +LICENSE=Apache-2.0 +RDEPEND=~sci-libs/votca-tools-1.4[sqlite] ~sci-chemistry/votca-csg-1.4 +SLOT=0 +SRC_URI=https://github.com/votca/xtp/archive/v1.4.tar.gz -> votca-xtp-1.4.tar.gz doc? ( https://github.com/votca/xtp/releases/download/v1.4/votca-xtp-manual-1.4.pdf ) +_eclasses_=bash-completion-r1 47a7402d95930413ce25ba8d857339bb cmake-utils a5d9146ee60641275d46a91aab93d02f desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=7eeaea99e458b7df922c406551f5c63e diff --git a/metadata/md5-cache/sci-chemistry/votca-xtp-1.4.1 b/metadata/md5-cache/sci-chemistry/votca-xtp-1.4.1 new file mode 100644 index 000000000000..9ae7729a7a0a --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/votca-xtp-1.4.1 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install postinst prepare test +DEPEND=~sci-libs/votca-tools-1.4.1[sqlite] ~sci-chemistry/votca-csg-1.4.1 doc? ( app-doc/doxygen[dot] dev-texlive/texlive-latexextra virtual/latex-base dev-tex/pgf ) >=app-text/txt2tags-2.5 virtual/pkgconfig dev-util/ninja >=dev-util/cmake-3.9.6 +DESCRIPTION=Votca excitation and charge properties module +EAPI=6 +HOMEPAGE=http://www.votca.org +IUSE=doc +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-macos +LICENSE=Apache-2.0 +RDEPEND=~sci-libs/votca-tools-1.4.1[sqlite] ~sci-chemistry/votca-csg-1.4.1 +SLOT=0 +SRC_URI=https://github.com/votca/xtp/archive/v1.4.1.tar.gz -> votca-xtp-1.4.1.tar.gz doc? ( https://github.com/votca/xtp/releases/download/v1.4.1/votca-xtp-manual-1.4.1.pdf ) +_eclasses_=bash-completion-r1 47a7402d95930413ce25ba8d857339bb cmake-utils a5d9146ee60641275d46a91aab93d02f desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=1dd7d9abe5b920a5982b13e857cd615a diff --git a/metadata/md5-cache/sci-chemistry/votca-xtp-1.5 b/metadata/md5-cache/sci-chemistry/votca-xtp-1.5 new file mode 100644 index 000000000000..338b72504003 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/votca-xtp-1.5 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install postinst prepare test +DEPEND=~sci-libs/votca-tools-1.5[sqlite] >=dev-cpp/eigen-3.3 ~sci-chemistry/votca-csg-1.5 sci-libs/ceres-solver sci-libs/libxc >=app-text/txt2tags-2.5 virtual/pkgconfig doc? ( app-doc/doxygen[dot] dev-texlive/texlive-latexextra virtual/latex-base dev-tex/pgf ) dev-util/ninja >=dev-util/cmake-3.9.6 +DESCRIPTION=Votca excitation and charge properties module +EAPI=6 +HOMEPAGE=http://www.votca.org +IUSE=doc +KEYWORDS=amd64 ~x86 ~amd64-linux ~x86-macos +LICENSE=Apache-2.0 +RDEPEND=~sci-libs/votca-tools-1.5[sqlite] >=dev-cpp/eigen-3.3 ~sci-chemistry/votca-csg-1.5 sci-libs/ceres-solver sci-libs/libxc +SLOT=0 +SRC_URI=https://github.com/votca/xtp/archive/v1.5.tar.gz -> votca-xtp-1.5.tar.gz doc? ( https://github.com/votca/xtp/releases/download/v1.5/votca-xtp-manual-1.5.pdf ) +_eclasses_=bash-completion-r1 47a7402d95930413ce25ba8d857339bb cmake-utils a5d9146ee60641275d46a91aab93d02f desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=556d185fe6bf5f39e29158672ec0d3b2 diff --git a/metadata/md5-cache/sci-chemistry/votca-xtp-1.5.1 b/metadata/md5-cache/sci-chemistry/votca-xtp-1.5.1 new file mode 100644 index 000000000000..44150eeca178 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/votca-xtp-1.5.1 @@ -0,0 +1,13 @@ +DEFINED_PHASES=compile configure install postinst prepare test +DEPEND=~sci-libs/votca-tools-1.5.1[sqlite] >=dev-cpp/eigen-3.3 ~sci-chemistry/votca-csg-1.5.1 sci-libs/ceres-solver sci-libs/libxc >=app-text/txt2tags-2.5 virtual/pkgconfig doc? ( app-doc/doxygen[dot] dev-texlive/texlive-latexextra virtual/latex-base dev-tex/pgf ) dev-util/ninja >=dev-util/cmake-3.9.6 +DESCRIPTION=Votca excitation and charge properties module +EAPI=6 +HOMEPAGE=http://www.votca.org +IUSE=doc +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-macos +LICENSE=Apache-2.0 +RDEPEND=~sci-libs/votca-tools-1.5.1[sqlite] >=dev-cpp/eigen-3.3 ~sci-chemistry/votca-csg-1.5.1 sci-libs/ceres-solver sci-libs/libxc +SLOT=0 +SRC_URI=https://github.com/votca/xtp/archive/v1.5.1.tar.gz -> votca-xtp-1.5.1.tar.gz doc? ( https://github.com/votca/xtp/releases/download/v1.5.1/votca-xtp-manual-1.5.1.pdf ) +_eclasses_=bash-completion-r1 47a7402d95930413ce25ba8d857339bb cmake-utils a5d9146ee60641275d46a91aab93d02f desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=ac7698d9d93e8a88ecf47915e1110c34 diff --git a/metadata/md5-cache/sci-chemistry/votca-xtp-9999 b/metadata/md5-cache/sci-chemistry/votca-xtp-9999 new file mode 100644 index 000000000000..fe13679f74e2 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/votca-xtp-9999 @@ -0,0 +1,12 @@ +DEFINED_PHASES=compile configure install postinst prepare test unpack +DEPEND=~sci-libs/votca-tools-9999[sqlite] >=dev-cpp/eigen-3.3 ~sci-chemistry/votca-csg-9999 sci-libs/ceres-solver sci-libs/libxc >=app-text/txt2tags-2.5 virtual/pkgconfig dev-util/ninja >=dev-util/cmake-3.9.6 >=dev-vcs/git-1.8.2.1[curl] +DESCRIPTION=Votca excitation and charge properties module +EAPI=6 +HOMEPAGE=http://www.votca.org +IUSE=doc +LICENSE=Apache-2.0 +PROPERTIES=live +RDEPEND=~sci-libs/votca-tools-9999[sqlite] >=dev-cpp/eigen-3.3 ~sci-chemistry/votca-csg-9999 sci-libs/ceres-solver sci-libs/libxc +SLOT=0 +_eclasses_=bash-completion-r1 47a7402d95930413ce25ba8d857339bb cmake-utils a5d9146ee60641275d46a91aab93d02f desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 git-r3 562b380fc59ae6a8622171d0acb777d1 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e multiprocessing cac3169468f893670dac3e7cb940e045 ninja-utils 132cbb376048d079b5a012f5467c4e7f preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf xdg-utils ff2ff954e6b17929574eee4efc5152ba +_md5_=c69d98b6e9a6ceb0fe256f95e2056e8a diff --git a/metadata/md5-cache/sci-chemistry/wxmacmolplt-7.5-r1 b/metadata/md5-cache/sci-chemistry/wxmacmolplt-7.5-r1 new file mode 100644 index 000000000000..a9cda8d4c2af --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/wxmacmolplt-7.5-r1 @@ -0,0 +1,12 @@ +DEFINED_PHASES=configure install prepare +DEPEND=media-libs/glew:0= media-libs/mesa[X(+)] x11-libs/wxGTK:3.0[X,opengl] virtual/pkgconfig >=app-portage/elt-patches-20170815 || ( >=sys-devel/automake-1.16.1:1.16 >=sys-devel/automake-1.15.1:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4 +DESCRIPTION=Chemical 3D graphics program with GAMESS input builder +EAPI=5 +HOMEPAGE=http://www.scl.ameslab.gov/MacMolPlt/ +KEYWORDS=~amd64 ~x86 +LICENSE=GPL-2 +RDEPEND=media-libs/glew:0= media-libs/mesa[X(+)] x11-libs/wxGTK:3.0[X,opengl] +SLOT=0 +SRC_URI=https://wxmacmolplt.googlecode.com/files/wxmacmolplt-7.5.tar.gz +_eclasses_=autotools ea7865c8fba1ea8d3639f355fffe1a3c desktop b1d22ac8bdd4679ab79c71aca235009d epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 flag-o-matic 8a43b9830f1e64a7a5fc0a276afa0275 libtool f143db5a74ccd9ca28c1234deffede96 ltprune 2729691420b6deeda2a90b1f1183fb55 multilib 1d91b03d42ab6308b5f4f6b598ed110e preserve-libs ef207dc62baddfddfd39a164d9797648 toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf wxwidgets e1e6e1eb5b3d911b3abd712f611e2312 +_md5_=d098e7b6812fe51a7e4b8a01f7ff5ad1 diff --git a/metadata/md5-cache/sci-chemistry/xds-bin-20170930 b/metadata/md5-cache/sci-chemistry/xds-bin-20170930 new file mode 100644 index 000000000000..054cfc31c22c --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/xds-bin-20170930 @@ -0,0 +1,10 @@ +DEFINED_PHASES=install postinst unpack +DESCRIPTION=Software for processing single-crystal X-ray monochromatic diffraction data +EAPI=6 +HOMEPAGE=http://xds.mpimf-heidelberg.mpg.de/ +IUSE=smp +KEYWORDS=-* ~amd64 +LICENSE=free-noncomm +SLOT=0 +SRC_URI=ftp://ftp.mpimf-heidelberg.mpg.de/pub/kabsch/XDS-INTEL64_Linux_x86_64.tar.gz -> XDS-INTEL64_Linux_x86_64-20170930.tar.gz ftp://ftp.mpimf-heidelberg.mpg.de/pub/kabsch/XDS_html_doc.tar.gz -> XDS_html_doc-20170930.tar.gz +_md5_=45025c807cc9ff1fae4013e124b7b388 diff --git a/metadata/md5-cache/sci-chemistry/xyza2pipe-20121001 b/metadata/md5-cache/sci-chemistry/xyza2pipe-20121001 new file mode 100644 index 000000000000..021b6f1b647a --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/xyza2pipe-20121001 @@ -0,0 +1,10 @@ +DEFINED_PHASES=install prepare +DESCRIPTION=Cross conversion environment of NMR spectra +EAPI=6 +HOMEPAGE=http://fermi.pharm.hokudai.ac.jp/olivia/api/index.php/Xyza2pipe_src +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=olivia +SLOT=0 +SRC_URI=http://fermi.pharm.hokudai.ac.jp/olivia/documents/xyza2pipe.tgz -> xyza2pipe-20121001.tgz +_eclasses_=multilib 1d91b03d42ab6308b5f4f6b598ed110e toolchain-funcs 512eb3367f507ebaa1d1d43ab7d66e6c +_md5_=c93da6bf85d6833951ad1ba692d826ed |