From: "Alexey Shvetsov" <alexxy@gentoo.org>
To: gentoo-commits@lists.gentoo.org
Subject: [gentoo-commits] repo/gentoo:master commit in: sci-chemistry/gromacs/
Date: Mon, 19 May 2025 18:49:50 +0000 (UTC) [thread overview]
Message-ID: <1747680584.604da00bfc8aa75f6c2a45f431cd2a8990a0803c.alexxy@gentoo> (raw)
commit: 604da00bfc8aa75f6c2a45f431cd2a8990a0803c
Author: Alexey Shvetsov <alexxy <AT> gentoo <DOT> org>
AuthorDate: Mon May 19 18:49:28 2025 +0000
Commit: Alexey Shvetsov <alexxy <AT> gentoo <DOT> org>
CommitDate: Mon May 19 18:49:44 2025 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=604da00b
sci-chemistry/gromacs: add 2025.2
Signed-off-by: Alexey Shvetsov <alexxy <AT> gentoo.org>
sci-chemistry/gromacs/Manifest | 3 +
sci-chemistry/gromacs/gromacs-2025.2.ebuild | 358 ++++++++++++++++++++++++++++
2 files changed, 361 insertions(+)
diff --git a/sci-chemistry/gromacs/Manifest b/sci-chemistry/gromacs/Manifest
index 65370d97cbb4..e1be89cb5e61 100644
--- a/sci-chemistry/gromacs/Manifest
+++ b/sci-chemistry/gromacs/Manifest
@@ -2,11 +2,14 @@ DIST gromacs-2023.5.tar.gz 42079310 BLAKE2B e50dbe76396230f4a886280bdebcf7b13150
DIST gromacs-2024.5.tar.gz 42353127 BLAKE2B c1fa6bd90390c9e13f11995ea9992902e136e15f6191ed47c9eac95384f97221533509ddd2bc4908f1d36fb790aab8a068fd1c00dd6f82e440f4719092b8ea37 SHA512 cb4f6bf4a6a53fb7ee4d8ed832d514d77d21eea3e1b86eec1bf51a4b6197a30aa8d68ca61919d7921c701af365077a9c84c12ef33d5584a1bc796b25709aa7af
DIST gromacs-2025.0.tar.gz 44417653 BLAKE2B 9fb55c6c5c842faefe1811e8e2da558cae2564d81767da13fab9f23f674d6451700885269cd25d70caae6a7553d8b6fd885922bb74976e6bc9a7251e01ce696b SHA512 0d3b2684827f6f9223a954fa5df408c2e7fbe2e61f6aef2d9a8b6bdd614045ed08a08d3229f3203064dc0c6b747de1b36449afc2de0b7da7300199bbcc2be77f
DIST gromacs-2025.1.tar.gz 44415202 BLAKE2B aff5ef4a1d75134573b14722007685c14f2c1195caed80ce3eaed074492aea535e290b25fc63e0479ff1ed296ffbc7985ed296b442fedb6ede8a6cbb780edeba SHA512 6affc4c36621528686e36a9f6008b82c1b552a4308a35b45e70129cb93de378f1c54473b1b8ee1a741c9ecdce963d28bc3746261f2a1a1f410733cbe0c583240
+DIST gromacs-2025.2.tar.gz 44447261 BLAKE2B 08ac9d7d0c16934c6af9f4026da49dca18676b9f0d2ced110992980bfcfda53276751300507fcf483f18235b7a134fafc55f7f5ad8229360830585963edaaa3a SHA512 72bc5b7fe7ad13190cc05619b786b576b4dd5523e7fdfdecc5be3b64843952c5a3c6d110c1503c5630522bbc71eb1615abd3c1387bf376a65bc286bf857dd209
DIST manual-2023.5.pdf 13579081 BLAKE2B 42f687ebcdb79bfc77aabac4fd382940c23ba27da380b8eff342c2e9255a58fc11a0458220d1f71f3c13ab1cf6fdabad00ac1bad741781d0b787899165bea2cc SHA512 0661f166f7a8dc24b4244c0139f366832ddfc1298129df2a6e29800b5d1567318781ab547bc7e9ee54de7a62abba4996f8e3010c91d6917c248117e5711d7dbb
DIST manual-2024.5.pdf 13693341 BLAKE2B b2e94b845f04201734c0a3ef834d013c2e65be53614329166d3b7e4ffcdfb71f3d25a4e8d9f852c4a7570b776532b7d0f00f9f62b76b1cd7fa8567ce22d44540 SHA512 b33a6689f965cfd867daee26b88693ab0696bb49db86e4f411030f36ce924e29f9cedbf3df51e3b02a223b91aa54394144795edb632336b8aa9eb164da8d4ded
DIST manual-2025.0.pdf 13801499 BLAKE2B 0b7a542680b3204e345a0a28a3abb8218d1d24389f0187f0bac6106b166087448382bf31abefc4d8579928f94ba52d309810ac3e66227f44db7030fb45018b49 SHA512 e16068e3357771a40970b17e8ad81407dff9e1621c7d35bb388cf74b80e0f4e7aea7069f08fe17c34eb83517dbf095efe3a96949f30a7c214a4b5d2c09ec7f1c
DIST manual-2025.1.pdf 13805396 BLAKE2B f625b33e9b412c8a4343c7830defe331d1cc12233b3eca4f296a814d09552f15d59dc0052938b0e6ab96af623ee942059cb86e7488411bcefea454518b604c0f SHA512 de1abb1ac66f5f0e4f9238dfa7a2f0f44b4fc565d4527d508294dcce35858da32bf1ec9fce623d2d1a9b4c851a6c45cb44ac973ba0d53e56d1a6bc3225a3e2fc
+DIST manual-2025.2.pdf 13810777 BLAKE2B 1ce1ef4619d1972a1e4212ab5684719744da821018b1d9e1e8fed9c03265ac8f1874f42d197845ab06e8c9ef45d6362da2985fa37f6c2f82816fa4dd14a18f0c SHA512 c48ad55c50f3cd8873affe6c28f187d62d8e0d06d204dd481d52f5ba459d1e38094656bf766b1f396673ab121ed011f3ebdbd5aca3ab5bd13ca14955748bcdc8
DIST regressiontests-2023.5.tar.gz 48619605 BLAKE2B f2549a34750c6866f054614a00a3360a09b82306e6bd5e5b848e18cdd3a3fabaac6203c5ca734901019403225dd47e0d662838abe9a1db7d07662f1c745b8e4f SHA512 3ccaf9db7dfba641a5e98ebff3d735cae3f679926aba443ffedec20dd6c85e67f0e9711ebad5dfa8105122d5411f5de6ded1802a7da4ddf0599657832c8c597a
DIST regressiontests-2024.5.tar.gz 32776573 BLAKE2B 5e397b6c601132ac96b826325bd0304d5939b87f0edaa89ba84d672a9df27351f26dbc9fde39fdb7a177be2743db93198316663a39145231741d08f3268d67cf SHA512 8594e8365f676f18f227b4d6b87fa6a1a8ceab8301302469a626380a7d29035a2cd8667b4d923b26491d3db9298d6660a9c9bde9274dfeba278dfabdb54ef424
DIST regressiontests-2025.0.tar.gz 32653708 BLAKE2B 38d4fb66c33da1f16a8d1ed66841c9eecce900f24d8c5c7f7c26df43f35c431db9745ac1f195af7572439184a4f1d1f099f81e0a843b3ffbe6e8df0371d3bb31 SHA512 925a392926794af9067c7c385daafbd6b36b0f138d6a2354f23652b2a8f750bb9268b14d9d67579cfbacbc88543790317ec56e095bdccd9e0ed80fb9a39fd439
DIST regressiontests-2025.1.tar.gz 32653610 BLAKE2B 8301571cc10631ffa88999c56b2a30dec0543d49515193eced776ee13e10a6efa60a618100a486002b9c6deaddc0d17abd8b611cbdc49ee4dea91f722c1b73de SHA512 e104f35f83e3afeea1b47e9f54a277330a4774962ca572a0694fda49c1e8752aa80c834786eaa3d23adeee938af1203d5eb7f06134f702e500b452f580bb4701
+DIST regressiontests-2025.2.tar.gz 32653416 BLAKE2B 03c80b5dd80d8d0ed97f7faab5b56d8d9c1416d895a26ab871b46a2588d55b97386cb0c26b29f996d8c78460971a510f59b1930219b82104ca442c6d4b32b4b0 SHA512 bf067f867fed356352e492e51ed2c6e3a2a71ce0a43a9141db806a75101c9678a7f09ba1f0e5cfb63b3af6e375ae2edd41b8f78c1b587f5884e458fe8d6fe65f
diff --git a/sci-chemistry/gromacs/gromacs-2025.2.ebuild b/sci-chemistry/gromacs/gromacs-2025.2.ebuild
new file mode 100644
index 000000000000..b8f9ffbc8f82
--- /dev/null
+++ b/sci-chemistry/gromacs/gromacs-2025.2.ebuild
@@ -0,0 +1,358 @@
+# Copyright 1999-2025 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=8
+
+CMAKE_MAKEFILE_GENERATOR="ninja"
+
+PYTHON_COMPAT=( python3_{11..13} )
+
+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
+ "
+ [[ ${PV} = 9999 ]] && EGIT_BRANCH="main" || EGIT_BRANCH="release-${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)
+ # since 2025 x86-32 support was dropped
+ KEYWORDS="~amd64 -arm ~arm64 ~riscv -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 nnpot +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 )
+ openmp? (
+ sys-devel/gcc[openmp]
+ llvm-core/clang-runtime[openmp]
+ )
+ fftw? ( sci-libs/fftw:3.0= )
+ hwloc? ( sys-apps/hwloc:= )
+ lapack? ( virtual/lapack )
+ mkl? ( sci-libs/mkl )
+ mpi? ( virtual/mpi[cxx] )
+ nnpot? ( sci-ml/caffe2[cuda=,opencl=] )
+ sci-libs/lmfit:=
+ >=dev-cpp/muParser-2.3:=
+ ${PYTHON_DEPS}
+ "
+BDEPEND="${CDEPEND}
+ virtual/pkgconfig
+ clang? ( >=llvm-core/clang-6:* )
+ $(python_gen_cond_dep '
+ dev-python/sphinx[${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}]
+ ')
+ 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"
+ local nnpot="OFF"
+
+ if use nnpot; then
+ nnpot="TORCH"
+ fi
+
+ 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=$(usex build-manual)
+ -DGMX_USE_HDF5=off
+ -DGMX_HWLOC=$(usex hwloc)
+ -DGMX_DEFAULT_SUFFIX=off
+ -DGMX_BUILD_HELP=$(usex doc)
+ -DGMX_SIMD="$acce"
+ -DGMX_NNPOT="$nnpot"
+ -DGMX_VMD_PLUGIN_PATH="${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
+ BUILD_DIR="${WORKDIR}/${P}_${x}"\
+ cmake_src_compile man
+ if use python; then
+ BUILD_DIR="${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
+}
next reply other threads:[~2025-05-19 18:49 UTC|newest]
Thread overview: 240+ messages / expand[flat|nested] mbox.gz Atom feed top
2025-05-19 18:49 Alexey Shvetsov [this message]
-- strict thread matches above, loose matches on Subject: below --
2025-09-22 6:04 [gentoo-commits] repo/gentoo:master commit in: sci-chemistry/gromacs/ Alexey Shvetsov
2025-09-19 8:38 Alexey Shvetsov
2025-07-16 14:18 Sam James
2025-04-02 9:11 Alexey Shvetsov
2025-03-21 10:04 Alexey Shvetsov
2025-03-21 10:03 Alexey Shvetsov
2025-02-24 20:46 Sam James
2025-02-24 19:40 Sam James
2025-02-24 10:13 Alexey Shvetsov
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2023-02-01 19:27 Andreas Sturmlechner
2023-01-30 6:42 Alexey Shvetsov
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2023-01-28 19:06 Arthur Zamarin
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2022-12-24 18:15 Christoph Junghans
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2022-12-20 20:51 Alexey Shvetsov
2022-12-20 18:40 Alexey Shvetsov
2022-12-20 18:25 Alexey Shvetsov
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2022-09-15 10:08 Alexey Shvetsov
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2022-07-04 14:11 Alexey Shvetsov
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2022-07-04 13:34 Alexey Shvetsov
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2022-07-04 13:34 Alexey Shvetsov
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2022-04-28 8:37 Alexey Shvetsov
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2021-11-04 20:54 Sam James
2021-11-04 20:52 Alexey Shvetsov
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2021-10-26 7:45 Sam James
2021-10-26 7:39 Pacho Ramos
2021-10-14 6:27 Sam James
2021-10-14 6:24 Sam James
2021-10-06 23:06 Sam James
2021-10-06 23:06 Sam James
2021-09-15 18:23 Alexey Shvetsov
2021-09-15 7:56 Alexey Shvetsov
2021-08-25 17:34 Pacho Ramos
2021-06-18 12:35 Alexey Shvetsov
2021-06-18 12:23 Alexey Shvetsov
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2021-06-15 9:16 Pacho Ramos
2021-06-02 16:53 Alexey Shvetsov
2021-06-02 16:53 Alexey Shvetsov
2021-05-11 19:24 Sam James
2021-05-11 19:24 Sam James
2021-04-12 20:00 Alexey Shvetsov
2021-04-12 20:00 Alexey Shvetsov
2021-04-03 15:44 Sam James
2021-02-01 12:29 Alexey Shvetsov
2021-01-13 13:23 Alexey Shvetsov
2021-01-12 20:17 Alexey Shvetsov
2021-01-12 20:17 Alexey Shvetsov
2021-01-06 15:10 Fabian Groffen
2020-12-03 20:38 Alexey Shvetsov
[not found] <1605235562.9a7cca483d0f00aa660be677e064d997bb8b81ef.sam@gentoo>
2020-11-13 2:46 ` Sam James
2020-11-13 2:46 Sam James
2020-11-12 21:03 Thomas Deutschmann
2020-11-12 21:03 Thomas Deutschmann
2020-11-11 16:39 Alexey Shvetsov
2020-11-11 16:15 Alexey Shvetsov
2020-11-11 10:22 Alexey Shvetsov
2020-11-11 10:20 Alexey Shvetsov
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2020-02-28 16:33 Christoph Junghans
2020-02-09 16:36 Michał Górny
2020-01-27 22:11 Alexey Shvetsov
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2019-12-30 12:29 Agostino Sarubbo
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2019-12-25 20:18 Alexey Shvetsov
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2019-06-03 7:12 Alexey Shvetsov
2019-06-03 7:12 Alexey Shvetsov
2019-06-03 6:58 Alexey Shvetsov
2019-05-15 7:48 Alexey Shvetsov
2019-04-19 13:26 Alexey Shvetsov
2019-02-24 17:09 Christoph Junghans
2019-02-18 11:55 Alexey Shvetsov
2019-01-22 11:00 Alexey Shvetsov
2019-01-11 12:00 Andreas Sturmlechner
2019-01-11 12:00 Andreas Sturmlechner
2019-01-11 12:00 Andreas Sturmlechner
2019-01-11 12:00 Andreas Sturmlechner
2018-12-31 18:35 Alexey Shvetsov
2018-12-27 3:16 Christoph Junghans
2018-12-17 12:31 Alexey Shvetsov
2018-11-26 18:51 Mikle Kolyada
2018-11-12 15:54 Alexey Shvetsov
2018-10-27 23:05 Andreas Sturmlechner
2018-10-27 19:47 Mikle Kolyada
2018-10-24 1:43 Christoph Junghans
2018-10-22 21:29 Alexey Shvetsov
2018-10-22 16:32 Alexey Shvetsov
2018-10-22 16:32 Alexey Shvetsov
2018-08-23 14:43 Alexey Shvetsov
2018-06-25 19:53 Christoph Junghans
2018-06-14 12:37 Alexey Shvetsov
2018-06-06 20:16 Alexey Shvetsov
2018-02-18 15:13 Alexey Shvetsov
2018-01-19 19:20 Christoph Junghans
2017-12-31 18:26 Christoph Junghans
2017-09-15 15:59 Christoph Junghans
2017-07-30 10:04 Michał Górny
2017-03-14 20:30 Christoph Junghans
2017-03-02 10:47 Agostino Sarubbo
2017-02-27 8:59 Michael Weber
2017-02-27 8:24 Agostino Sarubbo
2017-02-07 20:07 Christoph Junghans
2016-11-14 2:01 Christoph Junghans
2016-11-05 19:09 Christoph Junghans
2016-09-03 19:21 Christoph Junghans
2016-08-25 15:51 Christoph Junghans
2016-08-23 23:51 Christoph Junghans
2016-08-17 20:02 Christoph Junghans
2016-08-17 20:02 Christoph Junghans
2016-08-05 6:12 Alexey Shvetsov
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2016-07-17 19:12 Christoph Junghans
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2016-07-12 15:02 Christoph Junghans
2016-07-11 18:37 Alexey Shvetsov
2016-07-11 18:37 Alexey Shvetsov
2016-07-11 18:37 Alexey Shvetsov
2015-11-09 16:15 Alexey Shvetsov
2015-10-14 17:19 Alexey Shvetsov
2015-08-20 23:27 Christoph Junghans
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