commit: da584b9d2a06808f4959a98d23ddb5b3f2f537c1
Author: Alexey Shvetsov <alexxy <AT> gentoo <DOT> org>
AuthorDate: Thu Oct 28 16:24:52 2021 +0000
Commit: Alexey Shvetsov <alexxy <AT> gentoo <DOT> org>
CommitDate: Thu Oct 28 16:25:09 2021 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=da584b9d
sci-chemistry/gromacs: Add 2022_beta1
Package-Manager: Portage-3.0.28, Repoman-3.0.3
Signed-off-by: Alexey Shvetsov <alexxy <AT> gentoo.org>
sci-chemistry/gromacs/Manifest | 3 +++
.../{gromacs-9999.ebuild => gromacs-2022.9999.ebuild} | 16 +++++-----------
.../{gromacs-9999.ebuild => gromacs-2022_beta1.ebuild} | 16 +++++-----------
sci-chemistry/gromacs/gromacs-9999.ebuild | 16 +++++-----------
4 files changed, 18 insertions(+), 33 deletions(-)
diff --git a/sci-chemistry/gromacs/Manifest b/sci-chemistry/gromacs/Manifest
index 0102ae34ad4..eef4a81f453 100644
--- a/sci-chemistry/gromacs/Manifest
+++ b/sci-chemistry/gromacs/Manifest
@@ -4,15 +4,18 @@ DIST gromacs-2020.4.tar.gz 29149899 BLAKE2B
a07c8efd96137d58c1edf4ac9b5aafeb16d9
DIST gromacs-2020.6.tar.gz 29196621 BLAKE2B
b350fc62fd8eeb3f2b042fa74a4ed42e43a7b74efd8fddb60ec086a814048a52b8625da65fa5c4cf2cb1e22f8347562bc84d38bf34441fc5ebc6abaa38b0eea0
SHA512
4ce4d6b9ae33e9cd2a1ad3313e80acf63ded21dac897b01dbf87df2e318181796ef64c8a1d3e0a6058b972d8d88d00f710cd0277db12f38fc2c9b29772c98bea
DIST gromacs-2021.2.tar.gz 37976386 BLAKE2B
8818321bbcbdee25356bbf909d9c667f9d7cf180e696a323a61017683234d1269decc8f8d72b8012a8cc207f69e5cd97e2ab48dbbff06d82bbb407bc0578854b
SHA512
51b1728f41932274436ab807d569109e2b0e145abcb5cf9c9b7daf6a7396f2f8716dc28fb93cf178c97a7eaeab2a88878d0bc71dd6c6abe7e829d579e7968615
DIST gromacs-2021.3.tar.gz 37987972 BLAKE2B
d71995c7d5a34978246e33dc637ac3d273e547afcf72d1a107026650f03286ecdf27e4b9a70113b3c3a01af59ad49ac5c813aa6e5d2e8eb29fd05582a7a28d34
SHA512
da420917d06de2e192dfbb4e1b9f46989ed05b5c7e641c657104ed8f2bd8b22509bffd1ecfd7c965c80544eafa6af12d6d0aba7e1e7d9d14a4a88fb3fbf394a5
+DIST gromacs-2022-beta1.tar.gz 39727355 BLAKE2B
2b17684e36f1a2746bd92e4cea2f7eedfcc1770eb127663b7d643a4e9518dc90f788c0f41dcff612d06edb05eeb06a13196810714d5cdf5a8ef5056100d75eb6
SHA512
a311a95b42647819d442be2a6106f4a3bbfa792856ac88ade9ee0793dff3a3bd0e6f2982bfa37d541b3a4673a24358fa72bf9267c3d1743bb01da673d84e0fa8
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-2020.6.pdf 11850850 BLAKE2B
155e4eb9c200dcd0a38e3669b26077fcf310d437b82d9a593d333dada3989c2c8a936d62c642e195f98bb474b1673b8142405c467348fc96a74d57fb12106d76
SHA512
be508ebec597b82a2c4056029f8bb731b22cb8902628a45462ed21af54c554d28e07d5381efaaa96565202b7b47d33aea67950206cd9e8936211ae721b21b3e1
DIST manual-2021.2.pdf 12252501 BLAKE2B
0dbf9024e1516076b0eeb46e41523b966d1d81f57504fe0501c7bc8575e74fb19e3452ac584757e425bcccbc737367fe83be87fd21a4287f4675cf87184b960b
SHA512
14156d3b1017990e0be3ceb7ec055777a1aec4c347ac2e821a042d51c931f84ebca862f60644a90ed7ba4070cb14ff8babcde3e4351e4dbec84df8563e350984
DIST manual-2021.3.pdf 12255076 BLAKE2B
6ca516b6832507c9d4100679d1f9bc9e3ab17d226849b050764b0d0626247dc57ce49985f9a7fc0061f3df278923a83faa367ca8ab91c37e5624dc584a51a822
SHA512
5d53798f30ea00fcb4e1b35f7eaa4bebfc05dafa4f2d0c197dcf2b57a624ad3a98b74fd90722e40d0ac13a6fff4ca231f9d6340f52ba94659c827c53c2f1cb16
+DIST manual-2022_beta1.pdf 13033013 BLAKE2B
dda51c931e5b124d0fbd106a73b4f04d6d58374a8590b44d1f64897a2a2c97fb4a682275d2f2bd0907de5faec74d91550642bb505a3a316d2f7e20a84f0c1308
SHA512
ea7c1362fda8a4dc5b21242154daf9d9c66bdd2462d67335c56170189ed6f75a50bf51a0cdf8654886a3c0a537dfc0d364eb57f6602ce0065e4ac8ca106f5544
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
DIST regressiontests-2020.6.tar.gz 48541232 BLAKE2B
dbb405bd9168775984de8c9fb9e3fa2398d2790e2e4de23711c51a01dc3ea570d172a35d4924742ad5eda463eb0a885e6924512801e82b241600ceaefd5db70d
SHA512
497a9e7d438b0b7b0734a97cf3683baf480ecc056e96b09f1e143c362ff047a4e51e323216750501c954559579716dc024d3c51319bd2c85fa719466ce4330b2
DIST regressiontests-2021.2.tar.gz 48514312 BLAKE2B
81b007d5e5e1d054349c73dc8bc3589db328752e48a66687c0ad36be87ebe580df9cbd93b193a724669bd5765af06ec306f2e12af00a228af616de03943d6f05
SHA512
b687ddfd3dc6ec1051af2a3253633703ef1c82335d1df23379819ea47e44dfcd417e81e29610cc584d4c5fb1ee1cbc76731a3fd31b529d8cdd0b9c22f432c7ec
DIST regressiontests-2021.3.tar.gz 48515038 BLAKE2B
ee79d8adddc9c68f7d59d9e568b12bf4d1fe0e44c2810fee846ad6f689bbcacf60f5c266433946329e64e3127bc2d37a3f81f69c070c636b411b38067650c2cf
SHA512
e14baa22ef2902a23125bbd9143ae7a9a4810498b321794ff1989f8d044d47db5db41d5225798fda08016c05e5f7f315178b5a6e35cdf01e3b6604670a8ce7a2
+DIST regressiontests-2022-beta1.tar.gz 48534065 BLAKE2B
4f0dd89b791fa11696460befa4a755dff14546abc10a4801ddb5f0286cee267ca983c082748b0ce9345a98b7fb98bb4a5387054a373acc543ff56b72e0ad9b64
SHA512
aa178a59bc7074e1d50d2cbe4d376f3593e0af6ad2a563627529fa4b0aa6a9bb29248caaace578150ab9e80feba3bf862ab964993eed183a79e35a189d10fecf
diff --git a/sci-chemistry/gromacs/gromacs-9999.ebuild
b/sci-chemistry/gromacs/gromacs-2022.9999.ebuild
similarity index 95%
copy from sci-chemistry/gromacs/gromacs-9999.ebuild
copy to sci-chemistry/gromacs/gromacs-2022.9999.ebuild
index c135dc43d74..2cbb7ef61eb 100644
--- a/sci-chemistry/gromacs/gromacs-9999.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2022.9999.ebuild
@@ -1,16 +1,16 @@
# Copyright 1999-2021 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
-EAPI=7
+EAPI=8
CMAKE_MAKEFILE_GENERATOR="ninja"
-PYTHON_COMPAT=( python3_{8,9} )
+PYTHON_COMPAT=( python3_{8,9,10} )
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
+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="
@@ -22,7 +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 )
+ doc? ( https://ftp.gromacs.org/manual/manual-${PV/_/-}.pdf ->
manual-${PV}.pdf )
test? (
http://ftp.gromacs.org/regressiontests/regressiontests-${PV/_/-}.tar.gz )"
KEYWORDS="~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos"
fi
@@ -37,14 +37,9 @@ HOMEPAGE="http://www.gromacs.org/";
# base, vmd plugins, fftpack from numpy, blas/lapck from netlib,
memtestG80 library, mpi_thread lib
LICENSE="LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? (
BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )"
SLOT="0/${PV}"
-IUSE="X blas cuda +custom-cflags +doc build-manual double-precision +fftw
+gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp
+python +single-precision test +threads +tng ${ACCE_IUSE}"
+IUSE="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 ${ACCE_IUSE}"
CDEPEND="
- X? (
- x11-libs/libX11
- x11-libs/libSM
- x11-libs/libICE
- )
blas? ( virtual/blas )
cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14[profiler] )
opencl? ( virtual/opencl )
@@ -212,7 +207,6 @@ src_configure() {
mycmakeargs_pre+=(
"${fft_opts[@]}"
"${lmfit_opts[@]}"
- -DGMX_X11=$(usex X)
-DGMX_EXTERNAL_BLAS=$(usex blas)
-DGMX_EXTERNAL_LAPACK=$(usex lapack)
-DGMX_OPENMP=$(usex openmp)
diff --git a/sci-chemistry/gromacs/gromacs-9999.ebuild
b/sci-chemistry/gromacs/gromacs-2022_beta1.ebuild
similarity index 95%
copy from sci-chemistry/gromacs/gromacs-9999.ebuild
copy to sci-chemistry/gromacs/gromacs-2022_beta1.ebuild
index c135dc43d74..2cbb7ef61eb 100644
--- a/sci-chemistry/gromacs/gromacs-9999.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2022_beta1.ebuild
@@ -1,16 +1,16 @@
# Copyright 1999-2021 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
-EAPI=7
+EAPI=8
CMAKE_MAKEFILE_GENERATOR="ninja"
-PYTHON_COMPAT=( python3_{8,9} )
+PYTHON_COMPAT=( python3_{8,9,10} )
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
+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="
@@ -22,7 +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 )
+ doc? ( https://ftp.gromacs.org/manual/manual-${PV/_/-}.pdf ->
manual-${PV}.pdf )
test? (
http://ftp.gromacs.org/regressiontests/regressiontests-${PV/_/-}.tar.gz )"
KEYWORDS="~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos"
fi
@@ -37,14 +37,9 @@ HOMEPAGE="http://www.gromacs.org/";
# base, vmd plugins, fftpack from numpy, blas/lapck from netlib,
memtestG80 library, mpi_thread lib
LICENSE="LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? (
BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )"
SLOT="0/${PV}"
-IUSE="X blas cuda +custom-cflags +doc build-manual double-precision +fftw
+gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp
+python +single-precision test +threads +tng ${ACCE_IUSE}"
+IUSE="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 ${ACCE_IUSE}"
CDEPEND="
- X? (
- x11-libs/libX11
- x11-libs/libSM
- x11-libs/libICE
- )
blas? ( virtual/blas )
cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14[profiler] )
opencl? ( virtual/opencl )
@@ -212,7 +207,6 @@ src_configure() {
mycmakeargs_pre+=(
"${fft_opts[@]}"
"${lmfit_opts[@]}"
- -DGMX_X11=$(usex X)
-DGMX_EXTERNAL_BLAS=$(usex blas)
-DGMX_EXTERNAL_LAPACK=$(usex lapack)
-DGMX_OPENMP=$(usex openmp)
diff --git a/sci-chemistry/gromacs/gromacs-9999.ebuild
b/sci-chemistry/gromacs/gromacs-9999.ebuild
index c135dc43d74..2cbb7ef61eb 100644
--- a/sci-chemistry/gromacs/gromacs-9999.ebuild
+++ b/sci-chemistry/gromacs/gromacs-9999.ebuild
@@ -1,16 +1,16 @@
# Copyright 1999-2021 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
-EAPI=7
+EAPI=8
CMAKE_MAKEFILE_GENERATOR="ninja"
-PYTHON_COMPAT=( python3_{8,9} )
+PYTHON_COMPAT=( python3_{8,9,10} )
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
+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="
@@ -22,7 +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 )
+ doc? ( https://ftp.gromacs.org/manual/manual-${PV/_/-}.pdf ->
manual-${PV}.pdf )
test? (
http://ftp.gromacs.org/regressiontests/regressiontests-${PV/_/-}.tar.gz )"
KEYWORDS="~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos"
fi
@@ -37,14 +37,9 @@ HOMEPAGE="http://www.gromacs.org/";
# base, vmd plugins, fftpack from numpy, blas/lapck from netlib,
memtestG80 library, mpi_thread lib
LICENSE="LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? (
BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )"
SLOT="0/${PV}"
-IUSE="X blas cuda +custom-cflags +doc build-manual double-precision +fftw
+gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp
+python +single-precision test +threads +tng ${ACCE_IUSE}"
+IUSE="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 ${ACCE_IUSE}"
CDEPEND="
- X? (
- x11-libs/libX11
- x11-libs/libSM
- x11-libs/libICE
- )
blas? ( virtual/blas )
cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14[profiler] )
opencl? ( virtual/opencl )
@@ -212,7 +207,6 @@ src_configure() {
mycmakeargs_pre+=(
"${fft_opts[@]}"
"${lmfit_opts[@]}"
- -DGMX_X11=$(usex X)
-DGMX_EXTERNAL_BLAS=$(usex blas)
-DGMX_EXTERNAL_LAPACK=$(usex lapack)
-DGMX_OPENMP=$(usex openmp)
