diff options
author | Aaron Bauman <bman@gentoo.org> | 2020-07-28 14:45:29 -0400 |
---|---|---|
committer | Aaron Bauman <bman@gentoo.org> | 2020-07-28 14:45:29 -0400 |
commit | 3831172264494f42d621e760593f4d066900d922 (patch) | |
tree | 3a31692fd34affb4b8b80d14ac9029f7162213eb /sci-chemistry/apbs | |
parent | updates/2Q2018: drop slotmove for netmail/getmail (diff) | |
download | gentoo-3831172264494f42d621e760593f4d066900d922.tar.gz gentoo-3831172264494f42d621e760593f4d066900d922.tar.bz2 gentoo-3831172264494f42d621e760593f4d066900d922.zip |
*/*: Drop more Py2 last-rited pkgs
Bug: https://bugs.gentoo.org/715966
Closes: https://bugs.gentoo.org/714628
Closes: https://bugs.gentoo.org/606680
Closes: https://bugs.gentoo.org/686238
Closes: https://bugs.gentoo.org/710214
Closes: https://bugs.gentoo.org/710028
Closes: https://bugs.gentoo.org/710032
Closes: https://bugs.gentoo.org/656934
Closes: https://bugs.gentoo.org/592718
Closes: https://bugs.gentoo.org/446122
Closes: https://bugs.gentoo.org/547210
Closes: https://bugs.gentoo.org/359785
Closes: https://bugs.gentoo.org/571396
Closes: https://bugs.gentoo.org/600754
Closes: https://bugs.gentoo.org/677830
Closes: https://bugs.gentoo.org/710716
Closes: https://bugs.gentoo.org/651940
Closes: https://bugs.gentoo.org/695132
Closes: https://bugs.gentoo.org/708978
Closes: https://bugs.gentoo.org/710058
Signed-off-by: Aaron Bauman <bman@gentoo.org>
Diffstat (limited to 'sci-chemistry/apbs')
-rw-r--r-- | sci-chemistry/apbs/Manifest | 1 | ||||
-rw-r--r-- | sci-chemistry/apbs/apbs-1.4.1-r2.ebuild | 129 | ||||
-rw-r--r-- | sci-chemistry/apbs/files/apbs-1.4.1-manip.patch | 50 | ||||
-rw-r--r-- | sci-chemistry/apbs/files/apbs-1.4.1-multilib.patch | 92 | ||||
-rw-r--r-- | sci-chemistry/apbs/files/apbs-1.4.1-python.patch | 122 | ||||
-rw-r--r-- | sci-chemistry/apbs/metadata.xml | 25 |
6 files changed, 0 insertions, 419 deletions
diff --git a/sci-chemistry/apbs/Manifest b/sci-chemistry/apbs/Manifest deleted file mode 100644 index 1a146495e053..000000000000 --- a/sci-chemistry/apbs/Manifest +++ /dev/null @@ -1 +0,0 @@ -DIST apbs-1.4.1.zip 37999283 BLAKE2B 2301deb7ab4eb2f20098cf63df180bb53189e42a89cd5559357cdcf08e84d27a44eafe8557bb460574802d24d29741ad4606dc3bd7f32911d0d0f2c7453d6470 SHA512 3a127af3940054e5a43b3c0c620507f4f9baa69049e5a0933d8e8825458ad2faba840392752de49fe68d91e2054fb1394cf87bb5bb1c0b48305368e2f404cf6a diff --git a/sci-chemistry/apbs/apbs-1.4.1-r2.ebuild b/sci-chemistry/apbs/apbs-1.4.1-r2.ebuild deleted file mode 100644 index 4ea1cfcd1fad..000000000000 --- a/sci-chemistry/apbs/apbs-1.4.1-r2.ebuild +++ /dev/null @@ -1,129 +0,0 @@ -# Copyright 1999-2020 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=6 - -PYTHON_COMPAT=( python2_7 ) -DISTUTILS_SINGLE_IMPL=true -COMMIT="74fcb8676de69ed04ddab8976a8b05a6caaf4d65" -inherit cmake-utils distutils-r1 flag-o-matic toolchain-funcs - -DESCRIPTION="Evaluation of electrostatic properties of nanoscale biomolecular systems" -HOMEPAGE="https://www.poissonboltzmann.org/apbs/" -#SRC_URI="mirror://sourceforge/${PN}/${P}-source.tar.gz" -SRC_URI="https://github.com/Electrostatics/apbs-pdb2pqr/archive/${COMMIT}.zip -> ${P}.zip" - -SLOT="0" -LICENSE="BSD" -KEYWORDS="amd64 ppc x86 ~amd64-linux ~x86-linux" -IUSE="debug doc examples fast +fetk iapbs mpi openmp python tools" - -REQUIRED_USE=" - iapbs? ( fetk ) - mpi? ( !python ) - python? ( tools fetk iapbs ${PYTHON_REQUIRED_USE} )" - -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? ( ${PYTHON_DEPS} ) -" -DEPEND="${RDEPEND} - virtual/pkgconfig - doc? ( app-doc/doxygen ) -" - -S="${WORKDIR}"/${PN}-pdb2pqr-${COMMIT}/${PN} - -PATCHES=( - "${FILESDIR}"/${P}-multilib.patch - "${FILESDIR}"/${P}-manip.patch - "${FILESDIR}"/${P}-python.patch -) - -src_prepare() { - cmake-utils_src_prepare - append-cppflags $($(tc-getPKG_CONFIG) --cflags eigen3) - - sed \ - -e "s:-lblas:$($(tc-getPKG_CONFIG) --libs blas):g" \ - -e "/TOOLS_PATH/d" \ - -i CMakeLists.txt || die - use doc && MAKEOPTS+=" -j1" - if use python; then - unset PATCHES || die - cd tools/python || die - distutils-r1_src_prepare - fi -} - -src_configure() { - local mycmakeargs=( - -DCMAKE_SKIP_RPATH=ON - -DTOOLS_PATH="${ED%/}"/usr - -DSYS_LIBPATHS="${EPREFIX}"/usr/$(get_libdir) - -DLIBRARY_INSTALL_PATH=$(get_libdir) - -DFETK_PATH="${EPREFIX}"/usr/ - -DBUILD_SHARED_LIBS=ON - -DENABLE_QUIT=OFF - -DBUILD_DOC=$(usex doc) - -DBUILD_TOOLS=$(usex tools) - -DENABLE_BEM=OFF -# ENABLE_BEM: Boundary element method using TABIPB - -DENABLE_DEBUG=$(usex debug) - -DENABLE_VERBOSE_DEBUG=$(usex debug) - -DENABLE_FAST=$(usex fast) - -DENABLE_FETK=$(usex fetk) - -DENABLE_MPI=$(usex mpi) - -DENABLE_PYTHON=$(usex python) -# ENABLE_TINKER: Enable TINKER support - -DENABLE_iAPBS=$(usex iapbs) -# MAX_MEMORY: Set the maximum memory (in MB) to be used for a job - ) - cmake-utils_src_configure - if use python; then - cd tools/python || die - distutils-r1_src_configure - fi -} - -src_compile() { - cmake-utils_src_compile - if use python; then - append-ldflags -L"${S}"/lib - cd tools/python || die - distutils-r1_src_compile - fi -} - -src_test() { - python_setup - cd tests || die - LD_LIBRARY_PATH="${S}"/lib "${PYTHON}" apbs_tester.py -l log || die - grep -q 'FAILED' log && die "Tests failed" -} - -src_install() { - dodir /usr/bin - cmake-utils_src_install - local i - for i in "${ED}"/usr/bin/*; do - if [[ ! "${i}" =~ .*apbs$ ]]; then - mv "${i}" "${i}-apbs" || die - fi - done - if use python; then - cd tools/python || die - distutils-r1_src_install - rm -rf "${ED}"/usr/share/apbs/tools/python || die - fi -} diff --git a/sci-chemistry/apbs/files/apbs-1.4.1-manip.patch b/sci-chemistry/apbs/files/apbs-1.4.1-manip.patch deleted file mode 100644 index 090a27d8a5a6..000000000000 --- a/sci-chemistry/apbs/files/apbs-1.4.1-manip.patch +++ /dev/null @@ -1,50 +0,0 @@ - apbs/CMakeLists.txt | 2 +- - apbs/tools/CMakeLists.txt | 4 ---- - apbs/tools/mesh/CMakeLists.txt | 4 ++-- - 4 files changed, 5 insertions(+), 9 deletions(-) - -diff --git a/CMakeLists.txt b/CMakeLists.txt -index 8917fc4..5152008 100644 ---- a/CMakeLists.txt -+++ b/CMakeLists.txt -@@ -293,7 +293,7 @@ option(ENABLE_FETK "Enable the finite element solver" OFF) - - if(ENABLE_FETK) - message(STATUS "Checking for fetk components") -- set(FETK_ENALBED 1) -+ set(FETK_ENABLED 1) - - list(APPEND APBS_LIBS "-lstdc++") - list(APPEND APBS_LIBS "-L${FETK_PATH}/lib") -diff --git a/tools/manip/CMakeLists.txt b/tools/manip/CMakeLists.txt -index 937dac7..5768cc5 100644 ---- a/tools/manip/CMakeLists.txt -+++ b/tools/manip/CMakeLists.txt -@@ -4,9 +4,9 @@ set(LIBS "") - list(APPEND LIBS "apbs_generic") - list(APPEND LIBS "apbs_mg") - list(APPEND LIBS "apbs_pmgc") --if(FETK_ENALBED) -+if(FETK_ENABLED) - list(APPEND LIBS "apbs_fem") --endif(FETK_ENALBED) -+endif(FETK_ENABLED) - - message(STATUS "libraries: ${LIBS}") - -diff --git a/tools/mesh/CMakeLists.txt b/tools/mesh/CMakeLists.txt -index 1406377..6e6dfb9 100644 ---- a/tools/mesh/CMakeLists.txt -+++ b/tools/mesh/CMakeLists.txt -@@ -4,9 +4,9 @@ set(LIBS "") - list(APPEND LIBS "apbs_generic") - list(APPEND LIBS "apbs_mg") - list(APPEND LIBS "apbs_pmgc") --if(FETK_ENALBED) -+if(FETK_ENABLED) - list(APPEND LIBS "apbs_fem") --endif(FETK_ENALBED) -+endif(FETK_ENABLED) - - message(STATUS "libraries: ${LIBS}") - diff --git a/sci-chemistry/apbs/files/apbs-1.4.1-multilib.patch b/sci-chemistry/apbs/files/apbs-1.4.1-multilib.patch deleted file mode 100644 index a4e2d1761cf4..000000000000 --- a/sci-chemistry/apbs/files/apbs-1.4.1-multilib.patch +++ /dev/null @@ -1,92 +0,0 @@ - CMakeLists.txt | 18 +++++++++--------- - src/CMakeLists.txt | 1 - - src/fem/CMakeLists.txt | 2 +- - src/pmgc/CMakeLists.txt | 2 +- - 4 files changed, 11 insertions(+), 12 deletions(-) - -diff --git a/CMakeLists.txt b/CMakeLists.txt -index 75ddbdd..c46f5e7 100644 ---- a/CMakeLists.txt -+++ b/CMakeLists.txt -@@ -61,7 +61,7 @@ set(LIBRARY_OUTPUT_PATH ${APBS_ROOT}/lib) - set(TOOLS_PATH ${APBS_ROOT}/tools) - set(APBS_BINARY ${EXECUTABLE_OUTPUT_PATH}/apbs) - --set(LIBRARY_INSTALL_PATH lib) -+set(LIBRARY_INSTALL_PATH ${CMAKE_INSTALL_LIBDIR}) - set(HEADER_INSTALL_PATH include/apbs) - set(EXECUTABLE_INSTALL_PATH bin) - set(SHARE_INSTALL_PATH share/apbs) -@@ -93,8 +93,6 @@ set(CMAKE_INCLUDE_PATH "${CMAKE_INCLUDE_PATH}") - list(APPEND CMAKE_INCLUDE_PATH /usr/include) - list(APPEND CMAKE_INCLUDE_PATH /usr/local/include) - --set(APBS_LIBS "-L${APBS_ROOT}/lib -lapbs_geoflow") -- - ################################################################################ - # Enable ansi pedantic compiling # - ################################################################################ -@@ -193,9 +191,11 @@ if(ENABLE_BEM) - else() - set(TABI_LIBRARY_BASENAME ${CMAKE_STATIC_LIBRARY_PREFIX}${TABI}${CMAKE_STATIC_LIBRARY_SUFFIX}) - endif() -- -+ -+ file(GLOB MODS ${LIBRARY_OUTPUT_PATH}/*.mod) -+ - install( -- FILES ${LIBRARY_OUTPUT_PATH}/${TABI_LIBRARY_BASENAME} ${LIBRARY_OUTPUT_PATH}/*.mod -+ FILES ${LIBRARY_OUTPUT_PATH}/${TABI_LIBRARY_BASENAME} ${MODS} - DESTINATION ${LIBRARY_INSTALL_PATH} - ) - set(TABI_LIBRARY ${APBS_ROOT}/${LIBRARY_INSTALL_PATH}/${TABI_LIBRARY_BASENAME}) -@@ -210,7 +210,7 @@ if(ENABLE_BEM) - endif() - get_filename_component(LIBGFORTRANPATH ${LIBGFORTRANPATH} PATH) - find_path(LIBGFORTRAN_PATH ${LIBGFORTRAN_NAME} PATH ${LIBGFORTRANPATH}) -- list(APPEND APBS_LIBS "-L${APBS_ROOT}/${LIBRARY_INSTALL_PATH} -L${LIBGFORTRAN_PATH} -lgfortran -ltabipb" ) -+ list(APPEND APBS_LIBS "-L${APBS_ROOT}/lib -L${LIBGFORTRAN_PATH} -lgfortran -ltabipb" ) - endif() # ENABLE_BEM - - find_file( # this should be find path... -@@ -228,7 +228,7 @@ endif() - - - find_library(MALOC_LIBRARY "maloc" -- PATHS ${FETK_PATH}/lib ${CONTRIB_PATH} -+ PATHS ${FETK_PATH}/${CMAKE_INSTALL_LIBDIR} ${CONTRIB_PATH} - DOC "The fetk/maloc library" - ) - if(MALOC_LIBRARY) -@@ -296,9 +296,9 @@ if(ENABLE_FETK) - set(FETK_ENALBED 1) - - list(APPEND APBS_LIBS "-lstdc++") -- list(APPEND APBS_LIBS "-L${FETK_PATH}/lib") -+ list(APPEND APBS_LIBS "-L${FETK_PATH}/${CMAKE_INSTALL_LIBDIR}") - list(APPEND APBS_LIBS -lamd -lpunc -lmc -lgamer -lsuperlu -lumfpack ---lblas -lvf2c -ltetgen -ltriangle -lg2c -lreadline ) -+-lblas -lvf2c -ltetgen -ltriangle -lreadline ) - - SET(HAVE_MC_H YES) - endif() -diff --git a/src/fem/CMakeLists.txt b/src/fem/CMakeLists.txt -index 5a950c2..dc37f48 100644 ---- a/src/fem/CMakeLists.txt -+++ b/src/fem/CMakeLists.txt -@@ -12,4 +12,4 @@ add_items( - vpee.h - ) - --add_sublibrary(fem) -+add_sublibrary(fem apbs_geoflow) -diff --git a/src/pmgc/CMakeLists.txt b/src/pmgc/CMakeLists.txt -index 85b0c1e..97c95f0 100644 ---- a/src/pmgc/CMakeLists.txt -+++ b/src/pmgc/CMakeLists.txt -@@ -42,4 +42,4 @@ add_items( - mgfasd.h - ) - --add_sublibrary(pmgc) -+add_sublibrary(pmgc apbs_geoflow) diff --git a/sci-chemistry/apbs/files/apbs-1.4.1-python.patch b/sci-chemistry/apbs/files/apbs-1.4.1-python.patch deleted file mode 100644 index 5ad6613615f2..000000000000 --- a/sci-chemistry/apbs/files/apbs-1.4.1-python.patch +++ /dev/null @@ -1,122 +0,0 @@ - apbs/contrib/iapbs/src/apbs_driver.c | 6 +++--- - apbs/src/CMakeLists.txt | 1 + - apbs/tools/CMakeLists.txt | 2 +- - apbs/tools/python/CMakeLists.txt | 1 + - apbs/tools/python/apbslib.c | 4 ++-- - apbs/tools/python/apbslib.i | 4 ++-- - apbs/tools/python/setup.py | 16 ++++++++++++++++ - 7 files changed, 26 insertions(+), 8 deletions(-) - -diff --git a/contrib/iapbs/src/apbs_driver.c b/contrib/iapbs/src/apbs_driver.c -index c9e443b..e1ad67f 100644 ---- a/contrib/iapbs/src/apbs_driver.c -+++ b/contrib/iapbs/src/apbs_driver.c -@@ -595,7 +595,7 @@ int apbsdrv_( - printPBEPARM(pbeparm); - - /* Refine mesh */ -- if (!preRefineFE(i, nosh, feparm, fetk)) { -+ if (!preRefineFE(i, feparm, fetk)) { - Vnm_tprint( 2, "Error pre-refining mesh!\n"); - VJMPERR1(0); - } -@@ -609,7 +609,7 @@ int apbsdrv_( - Vnm_tprint(1, " Beginning solve-estimate-refine cycle:\n"); - for (isolve=0; isolve<feparm->maxsolve; isolve++) { - Vnm_tprint(1, " Solve #%d...\n", isolve); -- if (!solveFE(i, nosh, pbeparm, feparm, fetk)) { -+ if (!solveFE(i, pbeparm, feparm, fetk)) { - Vnm_tprint(2, "ERROR SOLVING EQUATION!\n"); - VJMPERR1(0); - } -@@ -622,7 +622,7 @@ int apbsdrv_( - /* We're not going to refine if we've hit the max number - * of solves */ - if (isolve < (feparm->maxsolve)-1) { -- if (!postRefineFE(i, nosh, feparm, fetk)) break; -+ if (!postRefineFE(i, feparm, fetk)) break; - } - bytesTotal = Vmem_bytesTotal(); - highWater = Vmem_highWaterTotal(); -diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt -index 44d20fa..2577343 100644 ---- a/src/CMakeLists.txt -+++ b/src/CMakeLists.txt -@@ -68,6 +68,7 @@ configure_file( - - if(ENABLE_iAPBS) - ADD_LIBRARY(apbs_routines routines.c routines.h) -+ target_link_libraries(apbs_routines apbs_mg apbs_fem) - INSTALL(TARGETS apbs_routines DESTINATION ${LIBRARY_INSTALL_PATH}) - INSTALL(FILES apbscfg.h DESTINATION ${HEADER_INSTALL_PATH}) - endif() -diff --git a/tools/CMakeLists.txt b/tools/CMakeLists.txt -index 1982a3c..4acbe68 100644 ---- a/tools/CMakeLists.txt -+++ b/tools/CMakeLists.txt -@@ -4,5 +4,5 @@ add_subdirectory(mesh) - add_subdirectory(manip) - - if(ENABLE_PYTHON) -- add_subdirectory(manip) -+ add_subdirectory(python) - endif(ENABLE_PYTHON) -diff --git a/tools/python/CMakeLists.txt b/tools/python/CMakeLists.txt -new file mode 100644 -index 0000000..8b13789 ---- /dev/null -+++ b/tools/python/CMakeLists.txt -@@ -0,0 +1 @@ -+ -diff --git a/tools/python/apbslib.c b/tools/python/apbslib.c -index fef5cc8..feaaa2c 100644 ---- a/tools/python/apbslib.c -+++ b/tools/python/apbslib.c -@@ -2504,8 +2504,8 @@ static swig_module_info swig_module = {swig_types, 24, 0, 0, 0, 0}; - #include "maloc/maloc.h" - #include "apbscfg.h" - #include "routines.h" --#include "apbs/valist.h" --#include "apbs/vatom.h" -+#include "generic/valist.h" -+#include "generic/vatom.h" - - - #include <limits.h> -diff --git a/tools/python/apbslib.i b/tools/python/apbslib.i -index 17fe521..44d05ea 100644 ---- a/tools/python/apbslib.i -+++ b/tools/python/apbslib.i -@@ -15,8 +15,8 @@ Header files: - #include "maloc/maloc.h" - #include "apbscfg.h" - #include "routines.h" --#include "apbs/valist.h" --#include "apbs/vatom.h" -+#include "generic/valist.h" -+#include "generic/vatom.h" - %} - - /* -diff --git a/tools/python/setup.py b/tools/python/setup.py -new file mode 100644 -index 0000000..4a20198 ---- /dev/null -+++ b/tools/python/setup.py -@@ -0,0 +1,16 @@ -+from distutils.core import setup, Extension -+setup(name='apbs', -+ version='1.4.1', -+ package_dir={'apbs': '', 'vgrid': 'vgrid'}, -+ packages=['apbs', 'vgrid'], -+ py_modules=['apbslib', 'main', 'noinput'], -+ ext_modules=[ -+ Extension( -+ '_apbslib', -+ ['apbslib.i'], -+ swig_opts=['-module', 'apbslib', '-I../include'], -+ include_dirs=["../../src"], -+ libraries=["apbs_generic", "apbs_routines"] -+ ) -+ ], -+ ) diff --git a/sci-chemistry/apbs/metadata.xml b/sci-chemistry/apbs/metadata.xml deleted file mode 100644 index a33a5468d19c..000000000000 --- a/sci-chemistry/apbs/metadata.xml +++ /dev/null @@ -1,25 +0,0 @@ -<?xml version="1.0" encoding="UTF-8"?> -<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd"> -<pkgmetadata> - <maintainer type="project"> - <email>sci-chemistry@gentoo.org</email> - <name>Gentoo Chemistry Project</name> - </maintainer> - <use> - <flag name="fetk">Include support for FeTK</flag> - <flag name="fast">APBS fast mode (experimental)</flag> - <flag name="iapbs">C/C++/Fortran interface</flag> - <flag name="tools">Install optional tools</flag> - </use> - <longdescription> -APBS is a software package for modeling biomolecular solvation through solution -of the Poisson-Boltzmann equation (PBE), one of the most popular continuum -models for describing electrostatic interactions between molecular solutes in -salty, aqueous media. Continuum electrostatics plays an important role in -several areas of biomolecular simulation - </longdescription> - <upstream> - <remote-id type="github">Electrostatics/apbs-pdb2pqr</remote-id> - <remote-id type="sourceforge">apbs</remote-id> - </upstream> -</pkgmetadata> |