commit:     6ced22b7795938e53ffb361dd10bff4b8c12c555
Author:     Alexey Shvetsov <alexxy <AT> gentoo <DOT> org>
AuthorDate: Thu Nov 21 07:43:42 2024 +0000
Commit:     Alexey Shvetsov <alexxy <AT> gentoo <DOT> org>
CommitDate: Thu Nov 21 07:43:42 2024 +0000
URL:        https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=6ced22b7

sci-chemistry/gromacs: drop 2024

Signed-off-by: Alexey Shvetsov <alexxy <AT> gentoo.org>

 sci-chemistry/gromacs/Manifest            |   3 -
 sci-chemistry/gromacs/gromacs-2024.ebuild | 335 ------------------------------
 2 files changed, 338 deletions(-)

diff --git a/sci-chemistry/gromacs/Manifest b/sci-chemistry/gromacs/Manifest
index 1debfdf404f1..6218957d1928 100644
--- a/sci-chemistry/gromacs/Manifest
+++ b/sci-chemistry/gromacs/Manifest
@@ -3,19 +3,16 @@ DIST gromacs-2021.7.tar.gz 38028032 BLAKE2B 
2dc1b15ca8692ca5cf4ad1c7a266b9e2ced0
 DIST gromacs-2022.6.tar.gz 40330705 BLAKE2B 
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 SHA512 
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 DIST gromacs-2023.5.tar.gz 42079310 BLAKE2B 
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 SHA512 
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 DIST gromacs-2024.3.tar.gz 42373103 BLAKE2B 
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 SHA512 
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-DIST gromacs-2024.tar.gz 42455653 BLAKE2B 
86446c5e95f9ddaf718126c409389730ee1642f36c3e0d844eb4b3a640c275e7979581365dacb57ac66daec296bbd94be6d5c0376f7255d3d3950f6759f8d69a
 SHA512 
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 DIST gromacs-2025.0-beta.tar.gz 45067499 BLAKE2B 
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 SHA512 
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 DIST manual-2020.7.pdf 11850780 BLAKE2B 
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 SHA512 
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 DIST manual-2021.7.pdf 12256526 BLAKE2B 
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 SHA512 
197765accb8ab6c5f1cc94b2697ff1817e157d85fa231dfe36a85036076e04da2a8035de66aba4f46c6dd7f553176357b94c92e1da5d1dabc574c627deee5279
 DIST manual-2022.6.pdf 13081140 BLAKE2B 
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 SHA512 
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 DIST manual-2023.5.pdf 13579081 BLAKE2B 
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 SHA512 
0661f166f7a8dc24b4244c0139f366832ddfc1298129df2a6e29800b5d1567318781ab547bc7e9ee54de7a62abba4996f8e3010c91d6917c248117e5711d7dbb
 DIST manual-2024.3.pdf 13676383 BLAKE2B 
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 SHA512 
8dd09913b89213a6673a5f5e3462fb963d1f30d68e0d58b846b7e2cf2f73baacb14fabab6591b680849607f4ca617cf288899729939b2c32021b4ee5ba06835f
-DIST manual-2024.pdf 13644437 BLAKE2B 
19d547686d5c5be5e1236aba648e8afb174b281802ab76e020466953ab5d2dd98701f21eb4736cb449b61960b5b7aadce6711b2b0309a41dd1997d7383bce09e
 SHA512 
b00048651f1f81f9024ba5c4c02ad66d2b07eb7b816f0489568fb64859cac515b885a5cb4640c8b5bd7c3620655a7ebc5fc2e4e4cbb8e952ffb0c9b5815ae661
 DIST manual-2025.0-beta.pdf 13788093 BLAKE2B 
40652f32f35d73964dfb8146b916c0249d8b7044595114986108f209e98e3a0a402ead18842822ce12c9cdd24a224bb95f80fbe5eec908f013b1eddc14d2a2fd
 SHA512 
eafc1fd060f4a5dd5e7317f0f0fa45cfd5ccc20518a9d67b9055a87c324893d92573dfd416fcbf0fc9b7a932a47e3a592fbc38837bccdd237466bb62cd3ad9ed
 DIST regressiontests-2020.7.tar.gz 48541487 BLAKE2B 
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 SHA512 
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 DIST regressiontests-2021.7.tar.gz 48537500 BLAKE2B 
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 SHA512 
7cbead90aa6d62346dcf7c2249c3cfa179884b987a749624444d2f59d93e0322f7721143bf6eb44d26102635dc70a73546ef82d4647558b6320bfdd459074017
 DIST regressiontests-2022.6.tar.gz 48615697 BLAKE2B 
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 SHA512 
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 DIST regressiontests-2023.5.tar.gz 48619605 BLAKE2B 
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 SHA512 
3ccaf9db7dfba641a5e98ebff3d735cae3f679926aba443ffedec20dd6c85e67f0e9711ebad5dfa8105122d5411f5de6ded1802a7da4ddf0599657832c8c597a
 DIST regressiontests-2024.3.tar.gz 32776961 BLAKE2B 
6a74977a396f8e82f7aba7a384cc840275b86d470597a4bbb93e97f1c13cd8fcf6d86ab26bdd4a89464b863954c9ed7dbd49af095e821573845f7bda43c2b90b
 SHA512 
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-DIST regressiontests-2024.tar.gz 48142685 BLAKE2B 
e24c29c2b534f2fe42e4abc122578ba618279f3182f83be604516e6ee2a34ff037b2604b4cda7a9b7e2ea9fce0a386b3efb7c8aa0cac378d6d8c1595be884c76
 SHA512 
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 DIST regressiontests-2025.0-beta.tar.gz 32653220 BLAKE2B 
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 SHA512 
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diff --git a/sci-chemistry/gromacs/gromacs-2024.ebuild 
b/sci-chemistry/gromacs/gromacs-2024.ebuild
deleted file mode 100644
index a3319899d419..000000000000
--- a/sci-chemistry/gromacs/gromacs-2024.ebuild
+++ /dev/null
@@ -1,335 +0,0 @@
-# Copyright 1999-2024 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=8
-
-CMAKE_MAKEFILE_GENERATOR="ninja"
-
-PYTHON_COMPAT=( python3_{10..12} )
-
-DISTUTILS_OPTIONAL=1
-DISTUTILS_USE_PEP517=no
-DISTUTILS_SINGLE_IMPL=1
-
-inherit bash-completion-r1 cmake cuda distutils-r1 flag-o-matic 
readme.gentoo-r1 toolchain-funcs xdg-utils
-
-if [[ ${PV} = *9999* ]]; then
-       EGIT_REPO_URI="
-               https://gitlab.com/gromacs/gromacs.git
-               https://github.com/gromacs/gromacs.git
-               "
-       [[ ${PV} = 9999 ]] && EGIT_BRANCH="master" || 
EGIT_BRANCH="release-${PV:0:4}"
-       inherit git-r3
-else
-       SRC_URI="
-               https://ftp.gromacs.org/gromacs/${PN}-${PV/_/-}.tar.gz
-               doc? ( https://ftp.gromacs.org/manual/manual-${PV/_/-}.pdf )
-               test? ( 
https://ftp.gromacs.org/regressiontests/regressiontests-${PV/_/-}.tar.gz )"
-       # since 2022 arm support was dropped (but not arm64)
-       KEYWORDS="~amd64 -arm ~arm64 ~x86 ~amd64-linux ~x86-linux ~x64-macos"
-fi
-
-ACCE_IUSE="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"
-
-DESCRIPTION="The ultimate molecular dynamics simulation package"
-HOMEPAGE="https://www.gromacs.org/";
-
-# see COPYING for details
-# https://repo.or.cz/w/gromacs.git/blob/HEAD:/COPYING
-#        base,    vmd plugins, fftpack from numpy,  blas/lapck from netlib,    
    memtestG80 library,  mpi_thread lib
-LICENSE="LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( 
BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )"
-SLOT="0/${PV}"
-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 ${ACCE_IUSE}"
-
-CDEPEND="
-       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:=
-       ${PYTHON_DEPS}
-       "
-BDEPEND="${CDEPEND}
-       virtual/pkgconfig
-       clang? ( >=sys-devel/clang-6:* )
-       build-manual? (
-               app-text/doxygen
-               $(python_gen_cond_dep '
-                       dev-python/sphinx[${PYTHON_USEDEP}]
-                       dev-python/sphinx-copybutton[${PYTHON_USEDEP}]
-                       dev-python/sphinx-inline-tabs[${PYTHON_USEDEP}]
-                       dev-python/sphinx-argparse[${PYTHON_USEDEP}]
-                       dev-python/sphinxcontrib-autoprogram[${PYTHON_USEDEP}]
-               ')
-               media-gfx/mscgen
-               media-gfx/graphviz
-               dev-texlive/texlive-latex
-               dev-texlive/texlive-latexextra
-               media-gfx/imagemagick
-       )"
-RDEPEND="${CDEPEND}"
-
-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_REQUIRED_USE}"
-
-DOCS=( AUTHORS README )
-
-RESTRICT="!test? ( test )"
-
-if [[ ${PV} != *9999 ]]; then
-       S="${WORKDIR}/${PN}-${PV/_/-}"
-fi
-
-pkg_pretend() {
-       [[ ${MERGE_TYPE} != binary ]] && use openmp && tc-check-openmp
-}
-
-pkg_setup() {
-       [[ ${MERGE_TYPE} != binary ]] && use openmp && tc-check-openmp
-       python-single-r1_pkg_setup
-}
-
-src_unpack() {
-       if [[ ${PV} != *9999 ]]; then
-               default
-       else
-               git-r3_src_unpack
-               if use test; then
-                       
EGIT_REPO_URI="https://gitlab.com/gromacs/gromacs-regressiontests.git"; \
-                       EGIT_BRANCH="${EGIT_BRANCH}" \
-                       EGIT_CHECKOUT_DIR="${WORKDIR}/regressiontests"\
-                               git-r3_src_unpack
-               fi
-       fi
-}
-
-src_prepare() {
-       #notes/todos
-       # -on apple: there is framework support
-
-       xdg_environment_reset #591952
-
-       # we can use clang as default
-       if use clang && ! tc-is-clang ; then
-               export CC=${CHOST}-clang
-               export CXX=${CHOST}-clang++
-       else
-               tc-export CXX CC
-       fi
-       # clang-cuda need to filter mfpmath
-       if use clang-cuda ; then
-               filter-mfpmath sse
-               filter-mfpmath i386
-       fi
-
-       cmake_src_prepare
-
-       use cuda && cuda_src_prepare
-
-       GMX_DIRS=""
-       use single-precision && GMX_DIRS+=" float"
-       use double-precision && GMX_DIRS+=" double"
-
-       if use test; then
-               for x in ${GMX_DIRS}; do
-                       mkdir -p "${WORKDIR}/${P}_${x}" || die
-                       cp -al "${WORKDIR}/regressiontests"* 
"${WORKDIR}/${P}_${x}/tests" || die
-               done
-       fi
-
-       DOC_CONTENTS="Gromacs can use sci-chemistry/vmd to read additional file 
formats"
-       if use build-manual; then
-               # try to create policy for imagemagik
-               mkdir -p "${HOME}"/.config/ImageMagick
-               cat >> "${HOME}"/.config/ImageMagick/policy.xml <<- EOF
-               <?xml version="1.0" encoding="UTF-8"?>
-               <!DOCTYPE policymap [
-               <!ELEMENT policymap (policy)+>
-               !ATTLIST policymap xmlns CDATA #FIXED ''>
-               <!ELEMENT policy EMPTY>
-               <!ATTLIST policy xmlns CDATA #FIXED '' domain NMTOKEN #REQUIRED
-                       name NMTOKEN #IMPLIED pattern CDATA #IMPLIED rights 
NMTOKEN #IMPLIED
-                       stealth NMTOKEN #IMPLIED value CDATA #IMPLIED>
-               ]>
-               <policymap>
-                       <policy domain="coder" rights="read | write" 
pattern="PS" />
-                       <policy domain="coder" rights="read | write" 
pattern="PS2" />
-                       <policy domain="coder" rights="read | write" 
pattern="PS3" />
-                       <policy domain="coder" rights="read | write" 
pattern="EPS" />
-                       <policy domain="coder" rights="read | write" 
pattern="PDF" />
-                       <policy domain="coder" rights="read | write" 
pattern="XPS" />
-               </policymap>
-               EOF
-       fi
-}
-
-src_configure() {
-       local mycmakeargs_pre=( ) extra fft_opts=( )
-       local acce="AUTO"
-
-       if use custom-cflags; then
-               #go from slowest to fastest acceleration
-               acce="None"
-               if (use amd64 || use x86); then
-                       use cpu_flags_x86_sse2 && acce="SSE2"
-                       use cpu_flags_x86_sse4_1 && acce="SSE4.1"
-                       use cpu_flags_x86_fma4 && acce="AVX_128_FMA"
-                       use cpu_flags_x86_avx && acce="AVX_256"
-                       use cpu_flags_x86_avx2 && acce="AVX2_256"
-                       use cpu_flags_x86_avx512f && acce="AVX_512"
-               elif (use arm); then
-                       use cpu_flags_arm_neon && acce="ARM_NEON"
-               elif (use arm64); then
-                       use cpu_flags_arm_neon && acce="ARM_NEON_ASIMD"
-               fi
-       else
-               strip-flags
-       fi
-
-       #to create man pages, build tree binaries are executed (bug #398437)
-       [[ ${CHOST} = *-darwin* ]] && \
-               extra+=" -DCMAKE_BUILD_WITH_INSTALL_RPATH=OFF"
-
-       if use fftw; then
-               fft_opts=( -DGMX_FFT_LIBRARY=fftw3 )
-       elif use mkl; then
-               local bits=$(get_libdir)
-               fft_opts=( -DGMX_FFT_LIBRARY=mkl
-                       -DMKL_INCLUDE_DIR="$(echo /opt/intel/*/mkl/include)"
-                       -DMKL_LIBRARIES="$(echo 
/opt/intel/*/mkl/lib/*${bits/lib}/libmkl_rt.so)"
-               )
-       else
-               fft_opts=( -DGMX_FFT_LIBRARY=fftpack )
-       fi
-
-       mycmakeargs_pre+=(
-               "${fft_opts[@]}"
-               "${lmfit_opts[@]}"
-               -DGMX_USE_LMFIT=EXTERNAL
-               -DGMX_USE_MUPARSER=EXTERNAL
-               -DGMX_EXTERNAL_BLAS=$(usex blas)
-               -DGMX_EXTERNAL_LAPACK=$(usex lapack)
-               -DGMX_OPENMP=$(usex openmp)
-               -DGMX_COOL_QUOTES=$(usex offensive)
-               -DGMX_USE_TNG=$(usex tng)
-               -DGMX_BUILD_MANUAL=$(usex build-manual)
-               -DGMX_HWLOC=$(usex hwloc)
-               -DGMX_DEFAULT_SUFFIX=off
-               -DGMX_SIMD="$acce"
-               
-DGMX_VMD_PLUGIN_PATH="${EPREFIX}/usr/$(get_libdir)/vmd/plugins/*/molfile/"
-               -DBUILD_TESTING=$(usex test)
-               -DGMX_BUILD_UNITTESTS=$(usex test)
-               -DPYTHON_EXECUTABLE="${EPREFIX}/usr/bin/${EPYTHON}"
-               ${extra}
-       )
-
-       for x in ${GMX_DIRS}; do
-               einfo "Configuring for ${x} precision"
-               local suffix=""
-               #if we build single and double - double is suffixed
-               use double-precision && use single-precision && \
-                       [[ ${x} = "double" ]] && suffix="_d"
-               local p
-               [[ ${x} = "double" ]] && p="-DGMX_DOUBLE=ON" || 
p="-DGMX_DOUBLE=OFF"
-               local gpu=( "-DGMX_GPU=OFF" )
-               [[ ${x} = "float" ]] && use cuda && gpu=( "-DGMX_GPU=CUDA" )
-               [[ ${x} = "float" ]] && use clang-cuda && gpu=( 
"-DGMX_GPU=CUDA" "-DGMX_CLANG_CUDA=ON" )
-               use opencl && gpu=( "-DGMX_GPU=OPENCL" )
-               local mycmakeargs=(
-                       ${mycmakeargs_pre[@]} ${p}
-                       -DGMX_MPI=$(usex mpi)
-                       -DGMX_THREAD_MPI=$(usex threads)
-                       -DGMXAPI=$(usex gmxapi)
-                       -DGMX_INSTALL_LEGACY_API=$(usex gmxapi-legacy)
-                       "${gpu[@]}"
-                       "$(use test && echo 
-DREGRESSIONTEST_PATH="${WORKDIR}/${P}_${x}/tests")"
-                       -DGMX_BINARY_SUFFIX="${suffix}"
-                       -DGMX_LIBS_SUFFIX="${suffix}"
-                       -DGMX_PYTHON_PACKAGE=$(usex python)
-               )
-               BUILD_DIR="${WORKDIR}/${P}_${x}" cmake_src_configure
-               [[ ${CHOST} != *-darwin* ]] || \
-                 sed -i '/SET(CMAKE_INSTALL_NAME_DIR/s/^/#/' 
"${WORKDIR}/${P}_${x}/gentoo_rules.cmake" || die
-       done
-}
-
-src_compile() {
-       for x in ${GMX_DIRS}; do
-               einfo "Compiling for ${x} precision"
-               BUILD_DIR="${WORKDIR}/${P}_${x}"\
-                       cmake_src_compile
-               if use python; then
-                       BUILD_DIR="${WORKDIR}/${P}_${x}"\
-                               cmake_src_compile       python_packaging/all
-                       BUILD_DIR="${WORKDIR}/${P}" \
-                               distutils-r1_src_compile
-               fi
-               # not 100% necessary for rel ebuilds as available from website
-               if use build-manual; then
-                       BUILD_DIR="${WORKDIR}/${P}_${x}"\
-                               cmake_src_compile manual
-               fi
-       done
-}
-
-src_test() {
-       for x in ${GMX_DIRS}; do
-               BUILD_DIR="${WORKDIR}/${P}_${x}"\
-                       cmake_src_compile check
-       done
-}
-
-src_install() {
-       for x in ${GMX_DIRS}; do
-               BUILD_DIR="${WORKDIR}/${P}_${x}" \
-                       cmake_src_install
-               if use python; then
-                       BUILD_DIR="${WORKDIR}/${P}_${x}" \
-                               cmake_src_install       python_packaging/install
-               fi
-               if use build-manual; then
-                       newdoc "${WORKDIR}/${P}_${x}"/docs/manual/gromacs.pdf 
"${PN}-manual-${PV}.pdf"
-               fi
-
-               if use doc; then
-                       if [[ ${PV} != *9999* ]]; then
-                               newdoc "${DISTDIR}/manual-${PV/_/-}.pdf" 
"${PN}-manual-${PV}.pdf"
-                       fi
-               fi
-       done
-
-       if use tng; then
-               insinto /usr/include/tng
-               doins src/external/tng_io/include/tng/*h
-       fi
-       # drop unneeded stuff
-       rm "${ED}"/usr/bin/GMXRC* || die
-       for x in "${ED}"/usr/bin/gmx-completion-*.bash ; do
-               local n=${x##*/gmx-completion-}
-               n="${n%.bash}"
-               cat "${ED}"/usr/bin/gmx-completion.bash "$x" > "${T}/${n}" || 
die
-               newbashcomp "${T}"/"${n}" "${n}"
-       done
-       rm "${ED}"/usr/bin/gmx-completion*.bash || die
-       readme.gentoo_create_doc
-}
-
-pkg_postinst() {
-       einfo
-       einfo  "Please read and cite gromacs related papers from list:"
-       einfo  "https://www.gromacs.org/articles.html";
-       einfo
-       readme.gentoo_print_elog
-}

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