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-rw-r--r--sci-chemistry/Manifest.gzbin8208 -> 8206 bytes
-rw-r--r--sci-chemistry/gromacs/Manifest18
-rw-r--r--sci-chemistry/gromacs/files/gromacs-gcc-15.patch13
-rw-r--r--sci-chemistry/gromacs/gromacs-2023.9999.ebuild339
-rw-r--r--sci-chemistry/gromacs/gromacs-2024.4.ebuild341
-rw-r--r--sci-chemistry/gromacs/gromacs-2025.0.ebuild (renamed from sci-chemistry/gromacs/gromacs-2025_rc.ebuild)4
-rw-r--r--sci-chemistry/gromacs/gromacs-2025.9999.ebuild4
-rw-r--r--sci-chemistry/gromacs/gromacs-9999.ebuild4
8 files changed, 23 insertions, 700 deletions
diff --git a/sci-chemistry/Manifest.gz b/sci-chemistry/Manifest.gz
index ec4ae4f2eb0f..042928f75730 100644
--- a/sci-chemistry/Manifest.gz
+++ b/sci-chemistry/Manifest.gz
Binary files differ
diff --git a/sci-chemistry/gromacs/Manifest b/sci-chemistry/gromacs/Manifest
index 977ae879b464..7ac52f331fa2 100644
--- a/sci-chemistry/gromacs/Manifest
+++ b/sci-chemistry/gromacs/Manifest
@@ -1,25 +1,21 @@
+AUX gromacs-gcc-15.patch 419 BLAKE2B 170134fea82c477672c915d2aa66a1a2df436bd69d7ef8993ec2d2f68ccb0b965f406c738da4af84a8fb62eb268b8f31ebabe2f9fa1a352961539c4f96bec582 SHA512 a3124dd9eb335886e73dc21b255b5ae9de18a9c1c637a2114350528e503f515d445126a34ad978eb6df12c705077ea706d5ae72f3b5a95fa3d60cccf06e87bed
DIST gromacs-2023.5.tar.gz 42079310 BLAKE2B e50dbe76396230f4a886280bdebcf7b131506679240e77d2a2263c3b5dbfe7ef754c4265fc04e9acad7932c7691de7f694cc23140a25d0d5be649a4120f45b0c SHA512 f3a34cf0d379d6d4964d7494af6c6617c0c092293ea38a3a248af2dd2a90cae04696d52e68126176065efc480977942b00efa441028e526e1555c7e84551fc0c
DIST gromacs-2024.3.tar.gz 42373103 BLAKE2B f45af72ecdf119b423d98b84818eaca1aa2e3f43eaf1aff7435de2a5891079a880f19a654627ee2f43e3a38c9dcfa0638bc6eb6da201b3c9ce89b2dc32fc683b SHA512 13f23e581c2b63f6262e8359e7bed6a1a5f3164047ea38d2b6a44bcd2b20b61332705167435fe2ad30fe6f24f8ab49b982388550cdecb49167e4156e36286d3d
-DIST gromacs-2024.4.tar.gz 42356162 BLAKE2B 3a1019128a2cfd47fb3ab23962a6fcd5bac3b5519d4bfa1239956740226468986ba93e645eb3bc20117968c024823e948fd819a603315399d573275c91c6e51b SHA512 32a08e9417d4d36a29bdfde4e0448bc136bd3db79b5d5c84fa99d9f022ffca6a94b7bd1c7e7a335430fb6bdcf0181e3cbabeb46d13978c0f87b5d88787ea8d63
DIST gromacs-2024.5.tar.gz 42353127 BLAKE2B c1fa6bd90390c9e13f11995ea9992902e136e15f6191ed47c9eac95384f97221533509ddd2bc4908f1d36fb790aab8a068fd1c00dd6f82e440f4719092b8ea37 SHA512 cb4f6bf4a6a53fb7ee4d8ed832d514d77d21eea3e1b86eec1bf51a4b6197a30aa8d68ca61919d7921c701af365077a9c84c12ef33d5584a1bc796b25709aa7af
-DIST gromacs-2025-rc.tar.gz 44424653 BLAKE2B 24f3d9ab02320604bb4e99a2bfe409061de92069684cec987355490eeeefd0cee2d665d7d1d4277904bf5025f6c59f0b3de36e6bf61b33f780c2ed2c758f6995 SHA512 0c40ea9b34b3f577ebe3843a65d5d384961224dd179434b98725a4f58190e9d0177b63407d276266a838e39b8d846f461672099787e683d7c8f4ad189cbc5571
+DIST gromacs-2025.0.tar.gz 44417653 BLAKE2B 9fb55c6c5c842faefe1811e8e2da558cae2564d81767da13fab9f23f674d6451700885269cd25d70caae6a7553d8b6fd885922bb74976e6bc9a7251e01ce696b SHA512 0d3b2684827f6f9223a954fa5df408c2e7fbe2e61f6aef2d9a8b6bdd614045ed08a08d3229f3203064dc0c6b747de1b36449afc2de0b7da7300199bbcc2be77f
DIST manual-2023.5.pdf 13579081 BLAKE2B 42f687ebcdb79bfc77aabac4fd382940c23ba27da380b8eff342c2e9255a58fc11a0458220d1f71f3c13ab1cf6fdabad00ac1bad741781d0b787899165bea2cc SHA512 0661f166f7a8dc24b4244c0139f366832ddfc1298129df2a6e29800b5d1567318781ab547bc7e9ee54de7a62abba4996f8e3010c91d6917c248117e5711d7dbb
DIST manual-2024.3.pdf 13676383 BLAKE2B fa5b310ee8977c525781492c70a18d40f8842f5fa43831ad0283c033f39968ba98e74ea618a4a9c25d88c3ed694071327220617b17f316ba2f29777c3edc95ca SHA512 8dd09913b89213a6673a5f5e3462fb963d1f30d68e0d58b846b7e2cf2f73baacb14fabab6591b680849607f4ca617cf288899729939b2c32021b4ee5ba06835f
-DIST manual-2024.4.pdf 13690684 BLAKE2B 7fac46df0da9d4cf7584599c7a71c4e1d11f75fc20a7a19ecc8069fdc2e9e35f0292e389f9c40d69dc96bdfea8d4ee370a54279b5531c0fb37c4cbd76caf7800 SHA512 5c4662527554171774adde5a3de220d775723154914838fd7fc3e40c981e1fccac0fd0def1acc500635cd39269d3bcc2edab5ec7aa85a7ea78350969d72ee13c
DIST manual-2024.5.pdf 13693341 BLAKE2B b2e94b845f04201734c0a3ef834d013c2e65be53614329166d3b7e4ffcdfb71f3d25a4e8d9f852c4a7570b776532b7d0f00f9f62b76b1cd7fa8567ce22d44540 SHA512 b33a6689f965cfd867daee26b88693ab0696bb49db86e4f411030f36ce924e29f9cedbf3df51e3b02a223b91aa54394144795edb632336b8aa9eb164da8d4ded
-DIST manual-2025-rc.pdf 13789080 BLAKE2B e60b7199c3b97989210480b5efe1a8c339c2875cb8257d9a9898dd82282a43c9efb0fd6bc0be065df315590d0fe61fbb0869b85e526020795b6e10c6b5eff659 SHA512 20774686f02f2b2eb2e24b11d22c9d17bfe6f41be43474948285ee75778c456429316da1a9bc3bb727555295eeea4963ea49bb968e25df020ba830d304c3e6bb
+DIST manual-2025.0.pdf 13801499 BLAKE2B 0b7a542680b3204e345a0a28a3abb8218d1d24389f0187f0bac6106b166087448382bf31abefc4d8579928f94ba52d309810ac3e66227f44db7030fb45018b49 SHA512 e16068e3357771a40970b17e8ad81407dff9e1621c7d35bb388cf74b80e0f4e7aea7069f08fe17c34eb83517dbf095efe3a96949f30a7c214a4b5d2c09ec7f1c
DIST regressiontests-2023.5.tar.gz 48619605 BLAKE2B f2549a34750c6866f054614a00a3360a09b82306e6bd5e5b848e18cdd3a3fabaac6203c5ca734901019403225dd47e0d662838abe9a1db7d07662f1c745b8e4f SHA512 3ccaf9db7dfba641a5e98ebff3d735cae3f679926aba443ffedec20dd6c85e67f0e9711ebad5dfa8105122d5411f5de6ded1802a7da4ddf0599657832c8c597a
DIST regressiontests-2024.3.tar.gz 32776961 BLAKE2B 6a74977a396f8e82f7aba7a384cc840275b86d470597a4bbb93e97f1c13cd8fcf6d86ab26bdd4a89464b863954c9ed7dbd49af095e821573845f7bda43c2b90b SHA512 1c4afbbca82c9b9ad371713ef5e7e093ca766f25f6fbda55c79ea1aecb2f0a06bdb042d3c8a86e3d9bf9e8b8091244827dbff544f66037ffa56b0bcb341a9d2c
-DIST regressiontests-2024.4.tar.gz 32777006 BLAKE2B 41623de750b89410fa0a52037ea28d99a688b602b286cff732a6e8100b2b72072f579fc4f72bfe7c246ca086b6c6c1c10adb89874db6e1c9276494572e408a9f SHA512 dfbe8ee1b7c5b534842203f2295ea08875df6af3fb94798138b92ab8bc816719e3357db2935d2de4fd798d104ad7cb44860cd65887da7bb2438db422f35e6848
DIST regressiontests-2024.5.tar.gz 32776573 BLAKE2B 5e397b6c601132ac96b826325bd0304d5939b87f0edaa89ba84d672a9df27351f26dbc9fde39fdb7a177be2743db93198316663a39145231741d08f3268d67cf SHA512 8594e8365f676f18f227b4d6b87fa6a1a8ceab8301302469a626380a7d29035a2cd8667b4d923b26491d3db9298d6660a9c9bde9274dfeba278dfabdb54ef424
-DIST regressiontests-2025-rc.tar.gz 32653300 BLAKE2B 6078855a0a2958732338f402fcce7e0cf0d117916930491977f894aa856ae40d968810f94e2f26f658201a8e00d2df782c27b942adab5d84063e4d2ed9dbfd07 SHA512 b9cfceef1495f43aaebc33d612c5c584c60418b2dab15d0ac78c8d5a52258221db7adce708f78bda70c3f9c48b6527777aceee32fafa603a4eca2d99ab166059
+DIST regressiontests-2025.0.tar.gz 32653708 BLAKE2B 38d4fb66c33da1f16a8d1ed66841c9eecce900f24d8c5c7f7c26df43f35c431db9745ac1f195af7572439184a4f1d1f099f81e0a843b3ffbe6e8df0371d3bb31 SHA512 925a392926794af9067c7c385daafbd6b36b0f138d6a2354f23652b2a8f750bb9268b14d9d67579cfbacbc88543790317ec56e095bdccd9e0ed80fb9a39fd439
EBUILD gromacs-2023.5.ebuild 9808 BLAKE2B bd101d7a3f09f383cec52c396e6e0edc4e6c29a01b691763cbadc967c51918b157643ebcd9f8760771b4ea5042f15882f2bd27a340aea73ada4dd9bcb75ef28f SHA512 2ba6d3829a0b8c1e198ef6e6062543a21c24790202020a4b63819a90708b18c655f73e447e79adc5bd5f2c635a4f3dd34b79388a5ef22d3bf8f04f505e874d9d
-EBUILD gromacs-2023.9999.ebuild 9810 BLAKE2B ddf7bb2a1a0789c2de9377c9e6ff8442725a310a0587b119683b6c07868e9aca82db184580b0a4f7e5a61dd5c6fc74d9c5186c7816850fcf66a065b91a755510 SHA512 a48956cf011570abdcdb0a31d5ed693027eb11da8ed3b8fbe545a0d1c21f52a7b3b0d9587a94af44cd6050025282c2da28f9d854d5a03fb97f7aee3fa04b67ea
EBUILD gromacs-2024.3.ebuild 9861 BLAKE2B 631036fb1ce3f090d0c863a0c95db19e37464cbbd8dd0cee4e60dcfc9b13630313bcf63450aab6521927abd618f4fe315a8451110ef9e86a479ee95a913f19f7 SHA512 fcfa45fcd35f443582f74220bfb5d8556858ddeba9f2105d072ab8da95133a4445ac13d469147a44326377d1a9bd9bd843e907d1a42e7bd99f81752f4409083a
-EBUILD gromacs-2024.4.ebuild 9863 BLAKE2B 559852f8c287a1b9c536e701e166c7c2955f511f8819e9f8519cdd2dd806fb7cf0f6af0e91d47b2babcb133913476935022ac6fc53909148626e7dca2ce8861d SHA512 9d8dfd39afe26b4b020ca20632c4e7cc583cc4362a09ae082f582291f3f916fd3cf25f0cfc56ab918ddb0931d14d4b190d9ca2893e054c9fa1aae62418186a3b
EBUILD gromacs-2024.5.ebuild 9863 BLAKE2B 559852f8c287a1b9c536e701e166c7c2955f511f8819e9f8519cdd2dd806fb7cf0f6af0e91d47b2babcb133913476935022ac6fc53909148626e7dca2ce8861d SHA512 9d8dfd39afe26b4b020ca20632c4e7cc583cc4362a09ae082f582291f3f916fd3cf25f0cfc56ab918ddb0931d14d4b190d9ca2893e054c9fa1aae62418186a3b
EBUILD gromacs-2024.9999.ebuild 9817 BLAKE2B abce03519bf538e5fc7db11912b1beceafc49cfdcaba1dc9d4cc7ad6a69337789f875105b65da1cef86558f43fbdcdcae27d092825efba7b02a9b9d9644afc58 SHA512 890cc415cb0176772349650c5d90f1e3b93361bafbdb958661253bf84ee2794290566edf661ec0ea0e690872b414cd763be2f0468f82a7410d4090000c6d6221
-EBUILD gromacs-2025.9999.ebuild 10389 BLAKE2B e46f3fc0e6214863933cd98a675f4225a096c74876dfab052d0fd7fbbc4bc1a1d10122c43f78bfdda08a8ec076b4bdee3f0f1d6089e67d0c36452d0954ecadd4 SHA512 9b3fd0336dd22aae15a608f3217bca498fcb9771540a0f4350d507be1eba838584f85d58d1058e73e398d02d4f850d7bad48d0442039af1b87250f27168f0283
-EBUILD gromacs-2025_rc.ebuild 10389 BLAKE2B e46f3fc0e6214863933cd98a675f4225a096c74876dfab052d0fd7fbbc4bc1a1d10122c43f78bfdda08a8ec076b4bdee3f0f1d6089e67d0c36452d0954ecadd4 SHA512 9b3fd0336dd22aae15a608f3217bca498fcb9771540a0f4350d507be1eba838584f85d58d1058e73e398d02d4f850d7bad48d0442039af1b87250f27168f0283
-EBUILD gromacs-9999.ebuild 10428 BLAKE2B 8b2d94447cbfd0f67e40f8d906e74592165155d31aaadd0e6e24cb96f01306043b7fdca377eb3c3dd7d2b83ffc8f5a78cf08b1b2fe5f04a5017d9a17f1f53cce SHA512 0dfe5befff43283d8780f4ac29b4393c3e2ade46fc389b07042c1e7781af952953c37c2635913a62e16358c731d2a28728a240cbb162672e236f07f5e728305a
+EBUILD gromacs-2025.0.ebuild 10377 BLAKE2B 3d8a2261820dc088d95fec9c1a369fef0b31ac3611cc61d4ff3bb956e4b1de62e02f1592e7b94965e0e7eae08853155fab76c9de61799ac7881aefc916473982 SHA512 52e6668de5226b74748d438168349f8486740cf622f8d79e9da53b32fc90fe1bd60257a89c7e8739b6fb0e5221b191d5816e69ea231c277df86802b4c5facfb7
+EBUILD gromacs-2025.9999.ebuild 10377 BLAKE2B 3d8a2261820dc088d95fec9c1a369fef0b31ac3611cc61d4ff3bb956e4b1de62e02f1592e7b94965e0e7eae08853155fab76c9de61799ac7881aefc916473982 SHA512 52e6668de5226b74748d438168349f8486740cf622f8d79e9da53b32fc90fe1bd60257a89c7e8739b6fb0e5221b191d5816e69ea231c277df86802b4c5facfb7
+EBUILD gromacs-9999.ebuild 10416 BLAKE2B c003d320a517be12b467936ecdbf1715186d42732cfd7ebe1da61baf94589260a43335102f04a9bcf225f91c069f091837f671b6d0b20e9edc09469902114153 SHA512 3409ee8db0cf2988029d2b92593ce7566b72b1f61c79b9d8e2de026ecd2538bde3a84291eaf2734d695fb324be34864add01552a10f5c8a4b897bb55fdc54589
MISC metadata.xml 1394 BLAKE2B d387fba17fee85119e42ff18968f18d26bcbf5997361b4b1e93eeea1a8df54a9173b614f7d315000ecd0e4fa247becfb1236697825c0579fa7dcaff51a8185e5 SHA512 f8d9ebc33ad1f391dde1b7e056ad9b7860a902b805363c988962743cd4f37af69a0b1acd3323a95b9740ded0abf20904895605d78fecebdf94a4562ccd3ab9e8
diff --git a/sci-chemistry/gromacs/files/gromacs-gcc-15.patch b/sci-chemistry/gromacs/files/gromacs-gcc-15.patch
new file mode 100644
index 000000000000..c0168ba9f21e
--- /dev/null
+++ b/sci-chemistry/gromacs/files/gromacs-gcc-15.patch
@@ -0,0 +1,13 @@
+diff --git a/src/gromacs/mdtypes/energyhistory.h b/src/gromacs/mdtypes/energyhistory.h
+index 0c8fecfae70605d64613a2408755e715e5f9b6c5..f80d4c56b95caf6942b35222d8983c8ed8f10e1e 100644
+--- a/src/gromacs/mdtypes/energyhistory.h
++++ b/src/gromacs/mdtypes/energyhistory.h
+@@ -47,6 +47,8 @@
+ #ifndef GMX_MDLIB_ENERGYHISTORY_H
+ #define GMX_MDLIB_ENERGYHISTORY_H
+
++#include <cstdint>
++
+ #include <memory>
+ #include <vector>
+
diff --git a/sci-chemistry/gromacs/gromacs-2023.9999.ebuild b/sci-chemistry/gromacs/gromacs-2023.9999.ebuild
deleted file mode 100644
index 49be408cdcce..000000000000
--- a/sci-chemistry/gromacs/gromacs-2023.9999.ebuild
+++ /dev/null
@@ -1,339 +0,0 @@
-# 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..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 )
- 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] )
- sci-libs/lmfit:=
- >=dev-cpp/muParser-2.3:=
- ${PYTHON_DEPS}
- "
-BDEPEND="${CDEPEND}
- virtual/pkgconfig
- clang? ( >=llvm-core/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
-}
diff --git a/sci-chemistry/gromacs/gromacs-2024.4.ebuild b/sci-chemistry/gromacs/gromacs-2024.4.ebuild
deleted file mode 100644
index 49ec16a5713f..000000000000
--- a/sci-chemistry/gromacs/gromacs-2024.4.ebuild
+++ /dev/null
@@ -1,341 +0,0 @@
-# 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..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 ~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 +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] )
- sci-libs/lmfit:=
- >=dev-cpp/muParser-2.3:=
- ${PYTHON_DEPS}
- "
-BDEPEND="${CDEPEND}
- virtual/pkgconfig
- clang? ( >=llvm-core/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 )
- ${PYTHON_REQUIRED_USE}"
-
-DOCS=( AUTHORS README )
-
-RESTRICT="!test? ( test )"
-
-PATCHES=( "${FILESDIR}/${PN}-gcc-15.patch" )
-
-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 "${ED}"/usr/bin/gmx-completion*.bash || die
- readme.gentoo_create_doc
-}
-
-pkg_postinst() {
- einfo
- einfo "Please read and cite gromacs related papers from list:"
- einfo "https://www.gromacs.org/articles.html"
- einfo
- readme.gentoo_print_elog
-}
diff --git a/sci-chemistry/gromacs/gromacs-2025_rc.ebuild b/sci-chemistry/gromacs/gromacs-2025.0.ebuild
index e829adc6590f..ea299e483a56 100644
--- a/sci-chemistry/gromacs/gromacs-2025_rc.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2025.0.ebuild
@@ -63,15 +63,13 @@ CDEPEND="
BDEPEND="${CDEPEND}
virtual/pkgconfig
clang? ( >=llvm-core/clang-6:* )
- doc? (
- $(python_gen_cond_dep '
+ $(python_gen_cond_dep '
dev-python/sphinx[${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
$(python_gen_cond_dep '
diff --git a/sci-chemistry/gromacs/gromacs-2025.9999.ebuild b/sci-chemistry/gromacs/gromacs-2025.9999.ebuild
index e829adc6590f..ea299e483a56 100644
--- a/sci-chemistry/gromacs/gromacs-2025.9999.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2025.9999.ebuild
@@ -63,15 +63,13 @@ CDEPEND="
BDEPEND="${CDEPEND}
virtual/pkgconfig
clang? ( >=llvm-core/clang-6:* )
- doc? (
- $(python_gen_cond_dep '
+ $(python_gen_cond_dep '
dev-python/sphinx[${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
$(python_gen_cond_dep '
diff --git a/sci-chemistry/gromacs/gromacs-9999.ebuild b/sci-chemistry/gromacs/gromacs-9999.ebuild
index eb3dd80c5f84..834cbde74d22 100644
--- a/sci-chemistry/gromacs/gromacs-9999.ebuild
+++ b/sci-chemistry/gromacs/gromacs-9999.ebuild
@@ -64,15 +64,13 @@ CDEPEND="
BDEPEND="${CDEPEND}
virtual/pkgconfig
clang? ( >=llvm-core/clang-6:* )
- doc? (
- $(python_gen_cond_dep '
+ $(python_gen_cond_dep '
dev-python/sphinx[${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 '