From mboxrd@z Thu Jan 1 00:00:00 1970 Return-Path: Received: from lists.gentoo.org (pigeon.gentoo.org [208.92.234.80]) (using TLSv1.2 with cipher ECDHE-RSA-AES256-GCM-SHA384 (256/256 bits)) (No client certificate requested) by finch.gentoo.org (Postfix) with ESMTPS id D57771382C5 for ; Thu, 17 Jun 2021 10:19:09 +0000 (UTC) Received: from pigeon.gentoo.org (localhost [127.0.0.1]) by pigeon.gentoo.org (Postfix) with SMTP id 11998E0802; Thu, 17 Jun 2021 10:19:09 +0000 (UTC) Received: from smtp.gentoo.org (woodpecker.gentoo.org [IPv6:2001:470:ea4a:1:5054:ff:fec7:86e4]) (using TLSv1.2 with cipher ECDHE-RSA-AES128-GCM-SHA256 (128/128 bits)) (No client certificate requested) by pigeon.gentoo.org (Postfix) with ESMTPS id D851BE0802 for ; Thu, 17 Jun 2021 10:19:08 +0000 (UTC) Received: from oystercatcher.gentoo.org (oystercatcher.gentoo.org [148.251.78.52]) (using TLSv1.2 with cipher ECDHE-RSA-AES128-GCM-SHA256 (128/128 bits)) (No client certificate requested) by smtp.gentoo.org (Postfix) with ESMTPS id 91900340861 for ; Thu, 17 Jun 2021 10:19:05 +0000 (UTC) Received: from localhost.localdomain (localhost [IPv6:::1]) by oystercatcher.gentoo.org (Postfix) with ESMTP id B624A78A for ; Thu, 17 Jun 2021 10:19:03 +0000 (UTC) From: "Alexey Shvetsov" To: gentoo-commits@lists.gentoo.org Content-Transfer-Encoding: 8bit Content-type: text/plain; charset=UTF-8 Reply-To: gentoo-dev@lists.gentoo.org, "Alexey Shvetsov" Message-ID: <1623925138.48e8d1fbc7aecb38c2e1623d1e89458833d90d5b.alexxy@gentoo> Subject: [gentoo-commits] repo/gentoo:master commit in: sci-chemistry/gromacs/ X-VCS-Repository: repo/gentoo X-VCS-Files: sci-chemistry/gromacs/Manifest sci-chemistry/gromacs/gromacs-2020.4.ebuild sci-chemistry/gromacs/gromacs-2020.5.ebuild sci-chemistry/gromacs/gromacs-2020.6.ebuild sci-chemistry/gromacs/gromacs-2020.9999.ebuild sci-chemistry/gromacs/gromacs-2021.1.ebuild sci-chemistry/gromacs/gromacs-2021.2.ebuild sci-chemistry/gromacs/gromacs-2021.9999.ebuild sci-chemistry/gromacs/gromacs-2021.ebuild sci-chemistry/gromacs/metadata.xml X-VCS-Directories: sci-chemistry/gromacs/ X-VCS-Committer: alexxy X-VCS-Committer-Name: Alexey Shvetsov X-VCS-Revision: 48e8d1fbc7aecb38c2e1623d1e89458833d90d5b X-VCS-Branch: master Date: Thu, 17 Jun 2021 10:19:03 +0000 (UTC) Precedence: bulk List-Post: List-Help: List-Unsubscribe: List-Subscribe: List-Id: Gentoo Linux mail X-BeenThere: gentoo-commits@lists.gentoo.org X-Auto-Response-Suppress: DR, RN, NRN, OOF, AutoReply X-Archives-Salt: 25b765f7-b121-4cb0-982f-becfa841b700 X-Archives-Hash: a3bd5206974a459ca9a4800b3d363ec8 commit: 48e8d1fbc7aecb38c2e1623d1e89458833d90d5b Author: Alexey Shvetsov gentoo org> AuthorDate: Thu Jun 17 10:18:47 2021 +0000 Commit: Alexey Shvetsov gentoo org> CommitDate: Thu Jun 17 10:18:58 2021 +0000 URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=48e8d1fb sci-chemistry/gromacs: Allow to download manual instead of building it Package-Manager: Portage-3.0.20, Repoman-3.0.3 Signed-off-by: Alexey Shvetsov gentoo.org> sci-chemistry/gromacs/Manifest | 6 +++ sci-chemistry/gromacs/gromacs-2020.4.ebuild | 59 +++++++++++++++----------- sci-chemistry/gromacs/gromacs-2020.5.ebuild | 59 +++++++++++++++----------- sci-chemistry/gromacs/gromacs-2020.6.ebuild | 59 +++++++++++++++----------- sci-chemistry/gromacs/gromacs-2020.9999.ebuild | 59 +++++++++++++++----------- sci-chemistry/gromacs/gromacs-2021.1.ebuild | 59 +++++++++++++++----------- sci-chemistry/gromacs/gromacs-2021.2.ebuild | 59 +++++++++++++++----------- sci-chemistry/gromacs/gromacs-2021.9999.ebuild | 59 +++++++++++++++----------- sci-chemistry/gromacs/gromacs-2021.ebuild | 59 +++++++++++++++----------- sci-chemistry/gromacs/metadata.xml | 1 + 10 files changed, 279 insertions(+), 200 deletions(-) diff --git a/sci-chemistry/gromacs/Manifest b/sci-chemistry/gromacs/Manifest index bf643a26eb3..001d1215733 100644 --- a/sci-chemistry/gromacs/Manifest +++ b/sci-chemistry/gromacs/Manifest @@ -8,6 +8,12 @@ DIST gromacs-2021.2.tar.gz 37976386 BLAKE2B 8818321bbcbdee25356bbf909d9c667f9d7c DIST gromacs-2021.tar.gz 35061679 BLAKE2B a7d8bd728480455e5c069392e3921a4f788802ec164ee24241cac9bc7c555cee07ef26853efa61e40a787fa87e6d20af35d56b98ac6a3757ef07fc4176679e19 SHA512 10d9d64b3c2329613a18d861589428841f55bede45e1800aec25246258209be1385aabaa0d5b52425c0ac21804c38b401db76448bb539ff3cf25f8b94e09575c DIST manual-2018.8.pdf 10025023 BLAKE2B afb0a6e6a72d78df743fcb57e7c1716848589e571dd35167b957a9b407ca27978ccfb6cb9e0df9c9439b888f352501a00ba32281ed1e0b4193bd606f1d77152e SHA512 b1972f7ce965bfc9377542993c5943ea4868a8ed23a969d4203264746d6bea3a7a65c6379196ece37fd6d68ec7ec80f827bde87d1049284af7082759a124f1d5 DIST manual-2019.6.pdf 12702376 BLAKE2B c350127bc06a9eb3dee73da39037c84daeb89500e23cb131bd19a150bf60602d4dde7611e0c6f0f344af4093e96a899303dac71b4df56fd0c44c3a48a56606b7 SHA512 dfdff67c2c1c9ce1f1c236b7686c5331b0fe86951da6c98eddd6a3e748815e0be0a9653ae4318469fcdd913c4e7c355d64a997cc80b9d9fbe6282ef6d98e61eb +DIST manual-2020.4.pdf 11851608 BLAKE2B 7b7bdf08e8946fcc448543b08391b94a67fee60a8c810597c1f09f70443f9d7db817c99622dd0c21c6317f5fdcd6c4a88589ecac57055cb0cd8597d6021026e7 SHA512 928555663c77de36393e625c29d388d4e1c8c1298e7a993d871839e0d4d8d18d190221ad8f1d975bd072bdd6a061e9ea5b9295f2ecf45f24b6523ea5ea290fed +DIST manual-2020.5.pdf 11850797 BLAKE2B b605de81cce385177f278b563526725688b4c2b0326f6f2c22bddc9b455c016365ee82731ad0ef2b2c9522e7d140c4a097b7a25f91552be60741d876bcc4c929 SHA512 0fa81494dbb4cb71c274fa1d1b1ef13bc5be8e69be841d429d06d5e9ef5517158b2130c0120ef6de13e73de5cd8af941c7b983ddba1da8af8214272704ce629e +DIST manual-2020.6.pdf 11850850 BLAKE2B 155e4eb9c200dcd0a38e3669b26077fcf310d437b82d9a593d333dada3989c2c8a936d62c642e195f98bb474b1673b8142405c467348fc96a74d57fb12106d76 SHA512 be508ebec597b82a2c4056029f8bb731b22cb8902628a45462ed21af54c554d28e07d5381efaaa96565202b7b47d33aea67950206cd9e8936211ae721b21b3e1 +DIST manual-2021.1.pdf 12252366 BLAKE2B c3f104f3a5c8b784b78bdb027ae3bf818977fd86e15b81760877423805d74f468417df6ad57b240d138f4ee4c567c2e7676c0084911ee1400ebfa7bab2673901 SHA512 8d4468da400abb39c307b1f31f5b4b4ae52152df1fb5bc7059a37072cd2a20136858d7280ea6a7138fe6c18e04821386d72f1ac4ee9a303e359e1d52b5250f12 +DIST manual-2021.2.pdf 12252501 BLAKE2B 0dbf9024e1516076b0eeb46e41523b966d1d81f57504fe0501c7bc8575e74fb19e3452ac584757e425bcccbc737367fe83be87fd21a4287f4675cf87184b960b SHA512 14156d3b1017990e0be3ceb7ec055777a1aec4c347ac2e821a042d51c931f84ebca862f60644a90ed7ba4070cb14ff8babcde3e4351e4dbec84df8563e350984 +DIST manual-2021.pdf 12251377 BLAKE2B 6b3c80fedf04b3cdc05ec9b52e0dd78c0c7abf2d9819c00ad29e1d7e2dd829cfc0e61c86c899859ac6af6b631f856737810f05f9c903456805b5b9c9c6c85c16 SHA512 1bd61e4d052ebe4ff293be710159f135013d38f1299557d0b0e5edcf60d288d8534694896a1feebe572f52187f85e890e59b7c71644a0c03bd264cfae6d348bc DIST regressiontests-2018.8.tar.gz 67855469 BLAKE2B 34c9b339f6229f483afbb5192ee6ba8b8f72d5c26907a853af9c53dfece0d88739e48f6b44b78d1c010f988f9385d077285300522164f533a5861e9dda879275 SHA512 3642389d27bd1942cd0f091c940ae97b197b94856a387fe581dc516b0d4169480f16551d4ba357f9282b3337d605c286d51dd38112ac87c826dda634904836bb DIST regressiontests-2019.6.tar.gz 67643195 BLAKE2B 1e054e24b187946f7ea28090d4f20cf8e1d79a26253f57ba07d130e0773d8541b8a1552a38023d31a68ce8bc62d8e0af1d98609234bb3e7d3e6d567307ebb386 SHA512 eacf1c55b982515a305c29459fe80a7cd558a8481e5689962aa956148af542568b1d1ce59c6784ecb0afd4768c2b664afa21e12af2d89ae2b06b1ba61ad72036 DIST regressiontests-2020.4.tar.gz 48542144 BLAKE2B 1dcde67525d40ababa74d9e8ba2dd3fdef1de7d1018491e102edd71d3a622925f213b5a0812e5448882b4cb5fb578317e8e5029bdc4bd53008aa8441a3d9dea1 SHA512 7c71f36a1cef22562f14dcd233e90ad2fe370ae1a7d3b5268727259b374e12d4754253735ac8745d3738bdbc1cc2067780fda5e393be2ff264f632fe4e0c1978 diff --git a/sci-chemistry/gromacs/gromacs-2020.4.ebuild b/sci-chemistry/gromacs/gromacs-2020.4.ebuild index d04309a01fc..266941a81e3 100644 --- a/sci-chemistry/gromacs/gromacs-2020.4.ebuild +++ b/sci-chemistry/gromacs/gromacs-2020.4.ebuild @@ -7,6 +7,7 @@ CMAKE_MAKEFILE_GENERATOR="ninja" PYTHON_COMPAT=( python3_{7,8,9} ) +DISTUTILS_USE_SETUPTOOLS=no DISTUTILS_SINGLE_IMPL=1 inherit bash-completion-r1 cmake cuda distutils-r1 flag-o-matic multilib readme.gentoo-r1 toolchain-funcs xdg-utils @@ -21,6 +22,7 @@ if [[ ${PV} = *9999* ]]; then else SRC_URI=" http://ftp.gromacs.org/gromacs/${PN}-${PV/_/-}.tar.gz + doc? ( https://ftp.gromacs.org/manual/manual-${PV/_/-}.pdf ) test? ( http://ftp.gromacs.org/regressiontests/regressiontests-${PV/_/-}.tar.gz )" KEYWORDS="amd64 arm x86 ~amd64-linux ~x86-linux ~x64-macos" fi @@ -35,7 +37,7 @@ HOMEPAGE="http://www.gromacs.org/" # base, vmd plugins, fftpack from numpy, blas/lapck from netlib, memtestG80 library, mpi_thread lib LICENSE="LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )" SLOT="0/${PV}" -IUSE="X blas cuda +custom-cflags +doc double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng ${ACCE_IUSE}" +IUSE="X blas cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng ${ACCE_IUSE}" CDEPEND=" X? ( @@ -57,7 +59,7 @@ CDEPEND=" " BDEPEND="${CDEPEND} virtual/pkgconfig - doc? ( + build-manual? ( app-doc/doxygen $(python_gen_cond_dep ' dev-python/sphinx[${PYTHON_MULTI_USEDEP}] @@ -72,6 +74,7 @@ RDEPEND="${CDEPEND}" REQUIRED_USE=" || ( single-precision double-precision ) + || ( doc build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) @@ -133,28 +136,29 @@ src_prepare() { fi DOC_CONTENTS="Gromacs can use sci-chemistry/vmd to read additional file formats" - - # try to create policy for imagemagik - mkdir -p ${HOME}/.config/ImageMagick - cat >> ${HOME}/.config/ImageMagick/policy.xml <<- EOF - - - !ATTLIST policymap xmlns CDATA #FIXED ''> - - > ${HOME}/.config/ImageMagick/policy.xml <<- EOF + + + !ATTLIST policymap xmlns CDATA #FIXED ''> + + - ]> - - - - - - - - - EOF + ]> + + + + + + + + + EOF + fi } src_configure() { @@ -208,7 +212,7 @@ src_configure() { -DGMX_OPENMP=$(usex openmp) -DGMX_COOL_QUOTES=$(usex offensive) -DGMX_USE_TNG=$(usex tng) - -DGMX_BUILD_MANUAL=$(usex doc) + -DGMX_BUILD_MANUAL=$(usex build-manual) -DGMX_HWLOC=$(usex hwloc) -DGMX_DEFAULT_SUFFIX=off -DGMX_SIMD="$acce" @@ -282,7 +286,7 @@ src_compile() { distutils-r1_src_compile fi # not 100% necessary for rel ebuilds as available from website - if use doc; then + if use build-manual; then BUILD_DIR="${WORKDIR}/${P}_${x}"\ cmake_src_compile manual fi @@ -308,9 +312,14 @@ src_install() { BUILD_DIR="${WORKDIR}/${P}_${x}" \ cmake_src_install python_packaging/install fi - if use doc; then + if use build-manual; then newdoc "${WORKDIR}/${P}_${x}"/docs/manual/gromacs.pdf "${PN}-manual-${PV}.pdf" fi + + if use doc; then + newdoc "${DISTDIR}/manual-${PV}.pdf" "${PN}-manual-${PV}.pdf" + fi + use mpi || continue BUILD_DIR="${WORKDIR}/${P}_${x}_mpi" \ cmake_src_install diff --git a/sci-chemistry/gromacs/gromacs-2020.5.ebuild b/sci-chemistry/gromacs/gromacs-2020.5.ebuild index 59a15623555..41ac7771497 100644 --- a/sci-chemistry/gromacs/gromacs-2020.5.ebuild +++ b/sci-chemistry/gromacs/gromacs-2020.5.ebuild @@ -7,6 +7,7 @@ CMAKE_MAKEFILE_GENERATOR="ninja" PYTHON_COMPAT=( python3_{7,8,9} ) +DISTUTILS_USE_SETUPTOOLS=no DISTUTILS_SINGLE_IMPL=1 inherit bash-completion-r1 cmake cuda distutils-r1 flag-o-matic multilib readme.gentoo-r1 toolchain-funcs xdg-utils @@ -21,6 +22,7 @@ if [[ ${PV} = *9999* ]]; then else SRC_URI=" http://ftp.gromacs.org/gromacs/${PN}-${PV/_/-}.tar.gz + doc? ( https://ftp.gromacs.org/manual/manual-${PV/_/-}.pdf ) test? ( http://ftp.gromacs.org/regressiontests/regressiontests-${PV/_/-}.tar.gz )" KEYWORDS="~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos" fi @@ -35,7 +37,7 @@ HOMEPAGE="http://www.gromacs.org/" # base, vmd plugins, fftpack from numpy, blas/lapck from netlib, memtestG80 library, mpi_thread lib LICENSE="LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )" SLOT="0/${PV}" -IUSE="X blas cuda +custom-cflags +doc double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng ${ACCE_IUSE}" +IUSE="X blas cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng ${ACCE_IUSE}" CDEPEND=" X? ( @@ -57,7 +59,7 @@ CDEPEND=" " BDEPEND="${CDEPEND} virtual/pkgconfig - doc? ( + build-manual? ( app-doc/doxygen $(python_gen_cond_dep ' dev-python/sphinx[${PYTHON_MULTI_USEDEP}] @@ -72,6 +74,7 @@ RDEPEND="${CDEPEND}" REQUIRED_USE=" || ( single-precision double-precision ) + || ( doc build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) @@ -133,28 +136,29 @@ src_prepare() { fi DOC_CONTENTS="Gromacs can use sci-chemistry/vmd to read additional file formats" - - # try to create policy for imagemagik - mkdir -p ${HOME}/.config/ImageMagick - cat >> ${HOME}/.config/ImageMagick/policy.xml <<- EOF - - - !ATTLIST policymap xmlns CDATA #FIXED ''> - - > ${HOME}/.config/ImageMagick/policy.xml <<- EOF + + + !ATTLIST policymap xmlns CDATA #FIXED ''> + + - ]> - - - - - - - - - EOF + ]> + + + + + + + + + EOF + fi } src_configure() { @@ -208,7 +212,7 @@ src_configure() { -DGMX_OPENMP=$(usex openmp) -DGMX_COOL_QUOTES=$(usex offensive) -DGMX_USE_TNG=$(usex tng) - -DGMX_BUILD_MANUAL=$(usex doc) + -DGMX_BUILD_MANUAL=$(usex build-manual) -DGMX_HWLOC=$(usex hwloc) -DGMX_DEFAULT_SUFFIX=off -DGMX_SIMD="$acce" @@ -282,7 +286,7 @@ src_compile() { distutils-r1_src_compile fi # not 100% necessary for rel ebuilds as available from website - if use doc; then + if use build-manual; then BUILD_DIR="${WORKDIR}/${P}_${x}"\ cmake_src_compile manual fi @@ -308,9 +312,14 @@ src_install() { BUILD_DIR="${WORKDIR}/${P}_${x}" \ cmake_src_install python_packaging/install fi - if use doc; then + if use build-manual; then newdoc "${WORKDIR}/${P}_${x}"/docs/manual/gromacs.pdf "${PN}-manual-${PV}.pdf" fi + + if use doc; then + newdoc "${DISTDIR}/manual-${PV}.pdf" "${PN}-manual-${PV}.pdf" + fi + use mpi || continue BUILD_DIR="${WORKDIR}/${P}_${x}_mpi" \ cmake_src_install diff --git a/sci-chemistry/gromacs/gromacs-2020.6.ebuild b/sci-chemistry/gromacs/gromacs-2020.6.ebuild index 59a15623555..41ac7771497 100644 --- a/sci-chemistry/gromacs/gromacs-2020.6.ebuild +++ b/sci-chemistry/gromacs/gromacs-2020.6.ebuild @@ -7,6 +7,7 @@ CMAKE_MAKEFILE_GENERATOR="ninja" PYTHON_COMPAT=( python3_{7,8,9} ) +DISTUTILS_USE_SETUPTOOLS=no DISTUTILS_SINGLE_IMPL=1 inherit bash-completion-r1 cmake cuda distutils-r1 flag-o-matic multilib readme.gentoo-r1 toolchain-funcs xdg-utils @@ -21,6 +22,7 @@ if [[ ${PV} = *9999* ]]; then else SRC_URI=" http://ftp.gromacs.org/gromacs/${PN}-${PV/_/-}.tar.gz + doc? ( https://ftp.gromacs.org/manual/manual-${PV/_/-}.pdf ) test? ( http://ftp.gromacs.org/regressiontests/regressiontests-${PV/_/-}.tar.gz )" KEYWORDS="~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos" fi @@ -35,7 +37,7 @@ HOMEPAGE="http://www.gromacs.org/" # base, vmd plugins, fftpack from numpy, blas/lapck from netlib, memtestG80 library, mpi_thread lib LICENSE="LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )" SLOT="0/${PV}" -IUSE="X blas cuda +custom-cflags +doc double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng ${ACCE_IUSE}" +IUSE="X blas cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng ${ACCE_IUSE}" CDEPEND=" X? ( @@ -57,7 +59,7 @@ CDEPEND=" " BDEPEND="${CDEPEND} virtual/pkgconfig - doc? ( + build-manual? ( app-doc/doxygen $(python_gen_cond_dep ' dev-python/sphinx[${PYTHON_MULTI_USEDEP}] @@ -72,6 +74,7 @@ RDEPEND="${CDEPEND}" REQUIRED_USE=" || ( single-precision double-precision ) + || ( doc build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) @@ -133,28 +136,29 @@ src_prepare() { fi DOC_CONTENTS="Gromacs can use sci-chemistry/vmd to read additional file formats" - - # try to create policy for imagemagik - mkdir -p ${HOME}/.config/ImageMagick - cat >> ${HOME}/.config/ImageMagick/policy.xml <<- EOF - - - !ATTLIST policymap xmlns CDATA #FIXED ''> - - > ${HOME}/.config/ImageMagick/policy.xml <<- EOF + + + !ATTLIST policymap xmlns CDATA #FIXED ''> + + - ]> - - - - - - - - - EOF + ]> + + + + + + + + + EOF + fi } src_configure() { @@ -208,7 +212,7 @@ src_configure() { -DGMX_OPENMP=$(usex openmp) -DGMX_COOL_QUOTES=$(usex offensive) -DGMX_USE_TNG=$(usex tng) - -DGMX_BUILD_MANUAL=$(usex doc) + -DGMX_BUILD_MANUAL=$(usex build-manual) -DGMX_HWLOC=$(usex hwloc) -DGMX_DEFAULT_SUFFIX=off -DGMX_SIMD="$acce" @@ -282,7 +286,7 @@ src_compile() { distutils-r1_src_compile fi # not 100% necessary for rel ebuilds as available from website - if use doc; then + if use build-manual; then BUILD_DIR="${WORKDIR}/${P}_${x}"\ cmake_src_compile manual fi @@ -308,9 +312,14 @@ src_install() { BUILD_DIR="${WORKDIR}/${P}_${x}" \ cmake_src_install python_packaging/install fi - if use doc; then + if use build-manual; then newdoc "${WORKDIR}/${P}_${x}"/docs/manual/gromacs.pdf "${PN}-manual-${PV}.pdf" fi + + if use doc; then + newdoc "${DISTDIR}/manual-${PV}.pdf" "${PN}-manual-${PV}.pdf" + fi + use mpi || continue BUILD_DIR="${WORKDIR}/${P}_${x}_mpi" \ cmake_src_install diff --git a/sci-chemistry/gromacs/gromacs-2020.9999.ebuild b/sci-chemistry/gromacs/gromacs-2020.9999.ebuild index 59a15623555..41ac7771497 100644 --- a/sci-chemistry/gromacs/gromacs-2020.9999.ebuild +++ b/sci-chemistry/gromacs/gromacs-2020.9999.ebuild @@ -7,6 +7,7 @@ CMAKE_MAKEFILE_GENERATOR="ninja" PYTHON_COMPAT=( python3_{7,8,9} ) +DISTUTILS_USE_SETUPTOOLS=no DISTUTILS_SINGLE_IMPL=1 inherit bash-completion-r1 cmake cuda distutils-r1 flag-o-matic multilib readme.gentoo-r1 toolchain-funcs xdg-utils @@ -21,6 +22,7 @@ if [[ ${PV} = *9999* ]]; then else SRC_URI=" http://ftp.gromacs.org/gromacs/${PN}-${PV/_/-}.tar.gz + doc? ( https://ftp.gromacs.org/manual/manual-${PV/_/-}.pdf ) test? ( http://ftp.gromacs.org/regressiontests/regressiontests-${PV/_/-}.tar.gz )" KEYWORDS="~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos" fi @@ -35,7 +37,7 @@ HOMEPAGE="http://www.gromacs.org/" # base, vmd plugins, fftpack from numpy, blas/lapck from netlib, memtestG80 library, mpi_thread lib LICENSE="LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )" SLOT="0/${PV}" -IUSE="X blas cuda +custom-cflags +doc double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng ${ACCE_IUSE}" +IUSE="X blas cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng ${ACCE_IUSE}" CDEPEND=" X? ( @@ -57,7 +59,7 @@ CDEPEND=" " BDEPEND="${CDEPEND} virtual/pkgconfig - doc? ( + build-manual? ( app-doc/doxygen $(python_gen_cond_dep ' dev-python/sphinx[${PYTHON_MULTI_USEDEP}] @@ -72,6 +74,7 @@ RDEPEND="${CDEPEND}" REQUIRED_USE=" || ( single-precision double-precision ) + || ( doc build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) @@ -133,28 +136,29 @@ src_prepare() { fi DOC_CONTENTS="Gromacs can use sci-chemistry/vmd to read additional file formats" - - # try to create policy for imagemagik - mkdir -p ${HOME}/.config/ImageMagick - cat >> ${HOME}/.config/ImageMagick/policy.xml <<- EOF - - - !ATTLIST policymap xmlns CDATA #FIXED ''> - - > ${HOME}/.config/ImageMagick/policy.xml <<- EOF + + + !ATTLIST policymap xmlns CDATA #FIXED ''> + + - ]> - - - - - - - - - EOF + ]> + + + + + + + + + EOF + fi } src_configure() { @@ -208,7 +212,7 @@ src_configure() { -DGMX_OPENMP=$(usex openmp) -DGMX_COOL_QUOTES=$(usex offensive) -DGMX_USE_TNG=$(usex tng) - -DGMX_BUILD_MANUAL=$(usex doc) + -DGMX_BUILD_MANUAL=$(usex build-manual) -DGMX_HWLOC=$(usex hwloc) -DGMX_DEFAULT_SUFFIX=off -DGMX_SIMD="$acce" @@ -282,7 +286,7 @@ src_compile() { distutils-r1_src_compile fi # not 100% necessary for rel ebuilds as available from website - if use doc; then + if use build-manual; then BUILD_DIR="${WORKDIR}/${P}_${x}"\ cmake_src_compile manual fi @@ -308,9 +312,14 @@ src_install() { BUILD_DIR="${WORKDIR}/${P}_${x}" \ cmake_src_install python_packaging/install fi - if use doc; then + if use build-manual; then newdoc "${WORKDIR}/${P}_${x}"/docs/manual/gromacs.pdf "${PN}-manual-${PV}.pdf" fi + + if use doc; then + newdoc "${DISTDIR}/manual-${PV}.pdf" "${PN}-manual-${PV}.pdf" + fi + use mpi || continue BUILD_DIR="${WORKDIR}/${P}_${x}_mpi" \ cmake_src_install diff --git a/sci-chemistry/gromacs/gromacs-2021.1.ebuild b/sci-chemistry/gromacs/gromacs-2021.1.ebuild index 16a2bffe6a3..e8ea613693f 100644 --- a/sci-chemistry/gromacs/gromacs-2021.1.ebuild +++ b/sci-chemistry/gromacs/gromacs-2021.1.ebuild @@ -7,6 +7,7 @@ CMAKE_MAKEFILE_GENERATOR="ninja" PYTHON_COMPAT=( python3_{7,8,9} ) +DISTUTILS_USE_SETUPTOOLS=no DISTUTILS_SINGLE_IMPL=1 inherit bash-completion-r1 cmake cuda distutils-r1 flag-o-matic multilib readme.gentoo-r1 toolchain-funcs xdg-utils @@ -21,6 +22,7 @@ if [[ ${PV} = *9999* ]]; then else SRC_URI=" http://ftp.gromacs.org/gromacs/${PN}-${PV/_/-}.tar.gz + doc? ( https://ftp.gromacs.org/manual/manual-${PV/_/-}.pdf ) test? ( http://ftp.gromacs.org/regressiontests/regressiontests-${PV/_/-}.tar.gz )" KEYWORDS="~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos" fi @@ -35,7 +37,7 @@ HOMEPAGE="http://www.gromacs.org/" # base, vmd plugins, fftpack from numpy, blas/lapck from netlib, memtestG80 library, mpi_thread lib LICENSE="LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )" SLOT="0/${PV}" -IUSE="X blas cuda +custom-cflags +doc double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng ${ACCE_IUSE}" +IUSE="X blas cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng ${ACCE_IUSE}" CDEPEND=" X? ( @@ -57,7 +59,7 @@ CDEPEND=" " BDEPEND="${CDEPEND} virtual/pkgconfig - doc? ( + build-manual? ( app-doc/doxygen $(python_gen_cond_dep ' dev-python/sphinx[${PYTHON_MULTI_USEDEP}] @@ -72,6 +74,7 @@ RDEPEND="${CDEPEND}" REQUIRED_USE=" || ( single-precision double-precision ) + || ( doc build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) @@ -136,28 +139,29 @@ src_prepare() { fi DOC_CONTENTS="Gromacs can use sci-chemistry/vmd to read additional file formats" - - # try to create policy for imagemagik - mkdir -p ${HOME}/.config/ImageMagick - cat >> ${HOME}/.config/ImageMagick/policy.xml <<- EOF - - - !ATTLIST policymap xmlns CDATA #FIXED ''> - - > ${HOME}/.config/ImageMagick/policy.xml <<- EOF + + + !ATTLIST policymap xmlns CDATA #FIXED ''> + + - ]> - - - - - - - - - EOF + ]> + + + + + + + + + EOF + fi } src_configure() { @@ -218,7 +222,7 @@ src_configure() { -DGMX_OPENMP=$(usex openmp) -DGMX_COOL_QUOTES=$(usex offensive) -DGMX_USE_TNG=$(usex tng) - -DGMX_BUILD_MANUAL=$(usex doc) + -DGMX_BUILD_MANUAL=$(usex build-manual) -DGMX_HWLOC=$(usex hwloc) -DGMX_DEFAULT_SUFFIX=off -DGMX_SIMD="$acce" @@ -289,7 +293,7 @@ src_compile() { distutils-r1_src_compile fi # not 100% necessary for rel ebuilds as available from website - if use doc; then + if use build-manual; then BUILD_DIR="${WORKDIR}/${P}_${x}"\ cmake_src_compile manual fi @@ -315,9 +319,14 @@ src_install() { BUILD_DIR="${WORKDIR}/${P}_${x}" \ cmake_src_install python_packaging/install fi - if use doc; then + if use build-manual; then newdoc "${WORKDIR}/${P}_${x}"/docs/manual/gromacs.pdf "${PN}-manual-${PV}.pdf" fi + + if use doc; then + newdoc "${DISTDIR}/manual-${PV}.pdf" "${PN}-manual-${PV}.pdf" + fi + use mpi || continue BUILD_DIR="${WORKDIR}/${P}_${x}_mpi" \ cmake_src_install diff --git a/sci-chemistry/gromacs/gromacs-2021.2.ebuild b/sci-chemistry/gromacs/gromacs-2021.2.ebuild index e8cbb127fef..7b257ee4f40 100644 --- a/sci-chemistry/gromacs/gromacs-2021.2.ebuild +++ b/sci-chemistry/gromacs/gromacs-2021.2.ebuild @@ -7,6 +7,7 @@ CMAKE_MAKEFILE_GENERATOR="ninja" PYTHON_COMPAT=( python3_{7,8,9} ) +DISTUTILS_USE_SETUPTOOLS=no DISTUTILS_SINGLE_IMPL=1 inherit bash-completion-r1 cmake cuda distutils-r1 flag-o-matic multilib readme.gentoo-r1 toolchain-funcs xdg-utils @@ -21,6 +22,7 @@ if [[ ${PV} = *9999* ]]; then else SRC_URI=" http://ftp.gromacs.org/gromacs/${PN}-${PV/_/-}.tar.gz + doc? ( https://ftp.gromacs.org/manual/manual-${PV/_/-}.pdf ) test? ( http://ftp.gromacs.org/regressiontests/regressiontests-${PV/_/-}.tar.gz )" KEYWORDS="~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos" fi @@ -35,7 +37,7 @@ HOMEPAGE="http://www.gromacs.org/" # base, vmd plugins, fftpack from numpy, blas/lapck from netlib, memtestG80 library, mpi_thread lib LICENSE="LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )" SLOT="0/${PV}" -IUSE="X blas cuda +custom-cflags +doc double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng ${ACCE_IUSE}" +IUSE="X blas cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng ${ACCE_IUSE}" CDEPEND=" X? ( @@ -57,7 +59,7 @@ CDEPEND=" " BDEPEND="${CDEPEND} virtual/pkgconfig - doc? ( + build-manual? ( app-doc/doxygen $(python_gen_cond_dep ' dev-python/sphinx[${PYTHON_MULTI_USEDEP}] @@ -72,6 +74,7 @@ RDEPEND="${CDEPEND}" REQUIRED_USE=" || ( single-precision double-precision ) + || ( doc build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) @@ -136,28 +139,29 @@ src_prepare() { fi DOC_CONTENTS="Gromacs can use sci-chemistry/vmd to read additional file formats" - - # try to create policy for imagemagik - mkdir -p ${HOME}/.config/ImageMagick - cat >> ${HOME}/.config/ImageMagick/policy.xml <<- EOF - - - !ATTLIST policymap xmlns CDATA #FIXED ''> - - > ${HOME}/.config/ImageMagick/policy.xml <<- EOF + + + !ATTLIST policymap xmlns CDATA #FIXED ''> + + - ]> - - - - - - - - - EOF + ]> + + + + + + + + + EOF + fi } src_configure() { @@ -218,7 +222,7 @@ src_configure() { -DGMX_OPENMP=$(usex openmp) -DGMX_COOL_QUOTES=$(usex offensive) -DGMX_USE_TNG=$(usex tng) - -DGMX_BUILD_MANUAL=$(usex doc) + -DGMX_BUILD_MANUAL=$(usex build-manual) -DGMX_HWLOC=$(usex hwloc) -DGMX_DEFAULT_SUFFIX=off -DGMX_SIMD="$acce" @@ -289,7 +293,7 @@ src_compile() { distutils-r1_src_compile fi # not 100% necessary for rel ebuilds as available from website - if use doc; then + if use build-manual; then BUILD_DIR="${WORKDIR}/${P}_${x}"\ cmake_src_compile manual fi @@ -315,9 +319,14 @@ src_install() { BUILD_DIR="${WORKDIR}/${P}_${x}" \ cmake_src_install python_packaging/install fi - if use doc; then + if use build-manual; then newdoc "${WORKDIR}/${P}_${x}"/docs/manual/gromacs.pdf "${PN}-manual-${PV}.pdf" fi + + if use doc; then + newdoc "${DISTDIR}/manual-${PV}.pdf" "${PN}-manual-${PV}.pdf" + fi + use mpi || continue BUILD_DIR="${WORKDIR}/${P}_${x}_mpi" \ cmake_src_install diff --git a/sci-chemistry/gromacs/gromacs-2021.9999.ebuild b/sci-chemistry/gromacs/gromacs-2021.9999.ebuild index 19c3097b599..16825937690 100644 --- a/sci-chemistry/gromacs/gromacs-2021.9999.ebuild +++ b/sci-chemistry/gromacs/gromacs-2021.9999.ebuild @@ -7,6 +7,7 @@ CMAKE_MAKEFILE_GENERATOR="ninja" PYTHON_COMPAT=( python3_{7,8,9} ) +DISTUTILS_USE_SETUPTOOLS=no DISTUTILS_SINGLE_IMPL=1 inherit bash-completion-r1 cmake cuda distutils-r1 flag-o-matic multilib readme.gentoo-r1 toolchain-funcs xdg-utils @@ -21,6 +22,7 @@ if [[ ${PV} = *9999* ]]; then else SRC_URI=" http://ftp.gromacs.org/gromacs/${PN}-${PV/_/-}.tar.gz + doc? ( https://ftp.gromacs.org/manual/manual-${PV/_/-}.pdf ) test? ( http://ftp.gromacs.org/regressiontests/regressiontests-${PV/_/-}.tar.gz )" KEYWORDS="~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos" fi @@ -35,7 +37,7 @@ HOMEPAGE="http://www.gromacs.org/" # base, vmd plugins, fftpack from numpy, blas/lapck from netlib, memtestG80 library, mpi_thread lib LICENSE="LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )" SLOT="0/${PV}" -IUSE="X blas cuda +custom-cflags +doc double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng ${ACCE_IUSE}" +IUSE="X blas cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng ${ACCE_IUSE}" CDEPEND=" X? ( @@ -57,7 +59,7 @@ CDEPEND=" " BDEPEND="${CDEPEND} virtual/pkgconfig - doc? ( + build-manual? ( app-doc/doxygen $(python_gen_cond_dep ' dev-python/sphinx[${PYTHON_MULTI_USEDEP}] @@ -72,6 +74,7 @@ RDEPEND="${CDEPEND}" REQUIRED_USE=" || ( single-precision double-precision ) + || ( doc build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) @@ -131,28 +134,29 @@ src_prepare() { fi DOC_CONTENTS="Gromacs can use sci-chemistry/vmd to read additional file formats" - - # try to create policy for imagemagik - mkdir -p ${HOME}/.config/ImageMagick - cat >> ${HOME}/.config/ImageMagick/policy.xml <<- EOF - - - !ATTLIST policymap xmlns CDATA #FIXED ''> - - > ${HOME}/.config/ImageMagick/policy.xml <<- EOF + + + !ATTLIST policymap xmlns CDATA #FIXED ''> + + - ]> - - - - - - - - - EOF + ]> + + + + + + + + + EOF + fi } src_configure() { @@ -213,7 +217,7 @@ src_configure() { -DGMX_OPENMP=$(usex openmp) -DGMX_COOL_QUOTES=$(usex offensive) -DGMX_USE_TNG=$(usex tng) - -DGMX_BUILD_MANUAL=$(usex doc) + -DGMX_BUILD_MANUAL=$(usex build-manual) -DGMX_HWLOC=$(usex hwloc) -DGMX_DEFAULT_SUFFIX=off -DGMX_SIMD="$acce" @@ -284,7 +288,7 @@ src_compile() { distutils-r1_src_compile fi # not 100% necessary for rel ebuilds as available from website - if use doc; then + if use build-manual; then BUILD_DIR="${WORKDIR}/${P}_${x}"\ cmake_src_compile manual fi @@ -310,9 +314,14 @@ src_install() { BUILD_DIR="${WORKDIR}/${P}_${x}" \ cmake_src_install python_packaging/install fi - if use doc; then + if use build-manual; then newdoc "${WORKDIR}/${P}_${x}"/docs/manual/gromacs.pdf "${PN}-manual-${PV}.pdf" fi + + if use doc; then + newdoc "${DISTDIR}/manual-${PV}.pdf" "${PN}-manual-${PV}.pdf" + fi + use mpi || continue BUILD_DIR="${WORKDIR}/${P}_${x}_mpi" \ cmake_src_install diff --git a/sci-chemistry/gromacs/gromacs-2021.ebuild b/sci-chemistry/gromacs/gromacs-2021.ebuild index ea5d7cd93dc..a4fdab0dfaf 100644 --- a/sci-chemistry/gromacs/gromacs-2021.ebuild +++ b/sci-chemistry/gromacs/gromacs-2021.ebuild @@ -7,6 +7,7 @@ CMAKE_MAKEFILE_GENERATOR="ninja" PYTHON_COMPAT=( python3_{7,8,9} ) +DISTUTILS_USE_SETUPTOOLS=no DISTUTILS_SINGLE_IMPL=1 inherit bash-completion-r1 cmake cuda distutils-r1 flag-o-matic multilib readme.gentoo-r1 toolchain-funcs xdg-utils @@ -21,6 +22,7 @@ if [[ ${PV} = *9999* ]]; then else SRC_URI=" http://ftp.gromacs.org/gromacs/${PN}-${PV/_/-}.tar.gz + doc? ( https://ftp.gromacs.org/manual/manual-${PV/_/-}.pdf ) test? ( http://ftp.gromacs.org/regressiontests/regressiontests-${PV/_/-}.tar.gz )" KEYWORDS="~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos" fi @@ -35,7 +37,7 @@ HOMEPAGE="http://www.gromacs.org/" # base, vmd plugins, fftpack from numpy, blas/lapck from netlib, memtestG80 library, mpi_thread lib LICENSE="LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )" SLOT="0/${PV}" -IUSE="X blas cuda +custom-cflags +doc double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng ${ACCE_IUSE}" +IUSE="X blas cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng ${ACCE_IUSE}" CDEPEND=" X? ( @@ -57,7 +59,7 @@ CDEPEND=" " BDEPEND="${CDEPEND} virtual/pkgconfig - doc? ( + build-manual? ( app-doc/doxygen $(python_gen_cond_dep ' dev-python/sphinx[${PYTHON_MULTI_USEDEP}] @@ -72,6 +74,7 @@ RDEPEND="${CDEPEND}" REQUIRED_USE=" || ( single-precision double-precision ) + || ( doc build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) @@ -133,28 +136,29 @@ src_prepare() { fi DOC_CONTENTS="Gromacs can use sci-chemistry/vmd to read additional file formats" - - # try to create policy for imagemagik - mkdir -p ${HOME}/.config/ImageMagick - cat >> ${HOME}/.config/ImageMagick/policy.xml <<- EOF - - - !ATTLIST policymap xmlns CDATA #FIXED ''> - - > ${HOME}/.config/ImageMagick/policy.xml <<- EOF + + + !ATTLIST policymap xmlns CDATA #FIXED ''> + + - ]> - - - - - - - - - EOF + ]> + + + + + + + + + EOF + fi } src_configure() { @@ -215,7 +219,7 @@ src_configure() { -DGMX_OPENMP=$(usex openmp) -DGMX_COOL_QUOTES=$(usex offensive) -DGMX_USE_TNG=$(usex tng) - -DGMX_BUILD_MANUAL=$(usex doc) + -DGMX_BUILD_MANUAL=$(usex build-manual) -DGMX_HWLOC=$(usex hwloc) -DGMX_DEFAULT_SUFFIX=off -DGMX_SIMD="$acce" @@ -286,7 +290,7 @@ src_compile() { distutils-r1_src_compile fi # not 100% necessary for rel ebuilds as available from website - if use doc; then + if use build-manual; then BUILD_DIR="${WORKDIR}/${P}_${x}"\ cmake_src_compile manual fi @@ -312,9 +316,14 @@ src_install() { BUILD_DIR="${WORKDIR}/${P}_${x}" \ cmake_src_install python_packaging/install fi - if use doc; then + if use build-manual; then newdoc "${WORKDIR}/${P}_${x}"/docs/manual/gromacs.pdf "${PN}-manual-${PV}.pdf" fi + + if use doc; then + newdoc "${DISTDIR}/manual-${PV}.pdf" "${PN}-manual-${PV}.pdf" + fi + use mpi || continue BUILD_DIR="${WORKDIR}/${P}_${x}_mpi" \ cmake_src_install diff --git a/sci-chemistry/gromacs/metadata.xml b/sci-chemistry/gromacs/metadata.xml index 4235f32ded6..44134f44362 100644 --- a/sci-chemistry/gromacs/metadata.xml +++ b/sci-chemistry/gromacs/metadata.xml @@ -10,6 +10,7 @@ Gentoo Chemistry Project + Build manual instead of downloading it Enable cuda non-bonded kernels More precise calculations at the expense of speed Add support for gmxapi library