blob: 5fb1c6405bdb63656124a9dcfd6536877e708bab (
plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
|
BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5
DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack
DESCRIPTION=The ultimate molecular dynamics simulation package
EAPI=8
HOMEPAGE=https://www.gromacs.org/
INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1 toolchain-funcs xdg-utils
IUSE=blas clang clang-cuda cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack 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 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_10 python_single_target_python3_11
KEYWORDS=~amd64 -arm ~arm64 ~x86 ~amd64-linux ~x86-linux ~x64-macos
LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )
RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) <sci-chemistry/dssp-4
REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) clang-cuda? ( clang cuda ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_10 python_single_target_python3_11 )
RESTRICT=!test? ( test )
SLOT=0/2022.5
SRC_URI=https://ftp.gromacs.org/gromacs/gromacs-2022.5.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2022.5.pdf ) test? ( https://ftp.gromacs.org/regressiontests/regressiontests-2022.5.tar.gz )
_eclasses_=toolchain-funcs 0c8a0b0d318eb5d5180d114bd3f6592b multilib c19072c3cd7ac5cb21de013f7e9832e0 bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff flag-o-matic ad475baa777c9978fa035216c8264a10 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils f3010c780f65d1bb5aea15a9af1adc9c xdg-utils baea6080dd821f5562d715887954c9d3 cmake aa1d1fa7be37663d48162ac963b22692 cuda 13d76baf0dc95e560610c6b7dfa79db4 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 multibuild 30dbf3c5a31db09a19f31ad0a68f2405 python-utils-r1 1f435bc389faf790af695df46b8dcb73 python-single-r1 75118e916668a74c660a13b0ecb22562 distutils-r1 b7cd5736a595ec0df9b164d5aec6f228 readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3
_md5_=9b89cd13d693a24c35ab21d8550f657e
|
GitWeb
