commit: 48e8d1fbc7aecb38c2e1623d1e89458833d90d5b
Author: Alexey Shvetsov <alexxy <AT> gentoo <DOT> org>
AuthorDate: Thu Jun 17 10:18:47 2021 +0000
Commit: Alexey Shvetsov <alexxy <AT> gentoo <DOT> 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 <alexxy <AT> 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
- <?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
+ if use build-manual; then
+ # try to create policy for imagemagik
+ mkdir -p ${HOME}/.config/ImageMagick
+ cat >> ${HOME}/.config/ImageMagick/policy.xml <<- EOF
+ <?xml version="1.0" encoding="UTF-8"?>
+ <!DOCTYPE policymap [
+ <!ELEMENT policymap (policy)+>
+ !ATTLIST policymap xmlns CDATA #FIXED ''>
+ <!ELEMENT policy EMPTY>
+ <!ATTLIST policy xmlns CDATA #FIXED '' domain NMTOKEN #REQUIRED
name NMTOKEN #IMPLIED pattern CDATA #IMPLIED rights
NMTOKEN #IMPLIED
stealth NMTOKEN #IMPLIED value CDATA #IMPLIED>
- ]>
- <policymap>
- <policy domain="coder" rights="read | write" pattern="PS" />
- <policy domain="coder" rights="read | write" pattern="PS2" />
- <policy domain="coder" rights="read | write" pattern="PS3" />
- <policy domain="coder" rights="read | write" pattern="EPS" />
- <policy domain="coder" rights="read | write" pattern="PDF" />
- <policy domain="coder" rights="read | write" pattern="XPS" />
- </policymap>
- EOF
+ ]>
+ <policymap>
+ <policy domain="coder" rights="read | write"
pattern="PS" />
+ <policy domain="coder" rights="read | write"
pattern="PS2" />
+ <policy domain="coder" rights="read | write"
pattern="PS3" />
+ <policy domain="coder" rights="read | write"
pattern="EPS" />
+ <policy domain="coder" rights="read | write"
pattern="PDF" />
+ <policy domain="coder" rights="read | write"
pattern="XPS" />
+ </policymap>
+ EOF
+ fi
}
src_configure() {
@@ -208,7 +212,7 @@ src_configure() {
-DGMX_OPENMP=$(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
- <?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
+ if use build-manual; then
+ # try to create policy for imagemagik
+ mkdir -p ${HOME}/.config/ImageMagick
+ cat >> ${HOME}/.config/ImageMagick/policy.xml <<- EOF
+ <?xml version="1.0" encoding="UTF-8"?>
+ <!DOCTYPE policymap [
+ <!ELEMENT policymap (policy)+>
+ !ATTLIST policymap xmlns CDATA #FIXED ''>
+ <!ELEMENT policy EMPTY>
+ <!ATTLIST policy xmlns CDATA #FIXED '' domain NMTOKEN #REQUIRED
name NMTOKEN #IMPLIED pattern CDATA #IMPLIED rights
NMTOKEN #IMPLIED
stealth NMTOKEN #IMPLIED value CDATA #IMPLIED>
- ]>
- <policymap>
- <policy domain="coder" rights="read | write" pattern="PS" />
- <policy domain="coder" rights="read | write" pattern="PS2" />
- <policy domain="coder" rights="read | write" pattern="PS3" />
- <policy domain="coder" rights="read | write" pattern="EPS" />
- <policy domain="coder" rights="read | write" pattern="PDF" />
- <policy domain="coder" rights="read | write" pattern="XPS" />
- </policymap>
- EOF
+ ]>
+ <policymap>
+ <policy domain="coder" rights="read | write"
pattern="PS" />
+ <policy domain="coder" rights="read | write"
pattern="PS2" />
+ <policy domain="coder" rights="read | write"
pattern="PS3" />
+ <policy domain="coder" rights="read | write"
pattern="EPS" />
+ <policy domain="coder" rights="read | write"
pattern="PDF" />
+ <policy domain="coder" rights="read | write"
pattern="XPS" />
+ </policymap>
+ EOF
+ fi
}
src_configure() {
@@ -208,7 +212,7 @@ src_configure() {
-DGMX_OPENMP=$(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
- <?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
+ if use build-manual; then
+ # try to create policy for imagemagik
+ mkdir -p ${HOME}/.config/ImageMagick
+ cat >> ${HOME}/.config/ImageMagick/policy.xml <<- EOF
+ <?xml version="1.0" encoding="UTF-8"?>
+ <!DOCTYPE policymap [
+ <!ELEMENT policymap (policy)+>
+ !ATTLIST policymap xmlns CDATA #FIXED ''>
+ <!ELEMENT policy EMPTY>
+ <!ATTLIST policy xmlns CDATA #FIXED '' domain NMTOKEN #REQUIRED
name NMTOKEN #IMPLIED pattern CDATA #IMPLIED rights
NMTOKEN #IMPLIED
stealth NMTOKEN #IMPLIED value CDATA #IMPLIED>
- ]>
- <policymap>
- <policy domain="coder" rights="read | write" pattern="PS" />
- <policy domain="coder" rights="read | write" pattern="PS2" />
- <policy domain="coder" rights="read | write" pattern="PS3" />
- <policy domain="coder" rights="read | write" pattern="EPS" />
- <policy domain="coder" rights="read | write" pattern="PDF" />
- <policy domain="coder" rights="read | write" pattern="XPS" />
- </policymap>
- EOF
+ ]>
+ <policymap>
+ <policy domain="coder" rights="read | write"
pattern="PS" />
+ <policy domain="coder" rights="read | write"
pattern="PS2" />
+ <policy domain="coder" rights="read | write"
pattern="PS3" />
+ <policy domain="coder" rights="read | write"
pattern="EPS" />
+ <policy domain="coder" rights="read | write"
pattern="PDF" />
+ <policy domain="coder" rights="read | write"
pattern="XPS" />
+ </policymap>
+ EOF
+ fi
}
src_configure() {
@@ -208,7 +212,7 @@ src_configure() {
-DGMX_OPENMP=$(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
- <?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
+ if use build-manual; then
+ # try to create policy for imagemagik
+ mkdir -p ${HOME}/.config/ImageMagick
+ cat >> ${HOME}/.config/ImageMagick/policy.xml <<- EOF
+ <?xml version="1.0" encoding="UTF-8"?>
+ <!DOCTYPE policymap [
+ <!ELEMENT policymap (policy)+>
+ !ATTLIST policymap xmlns CDATA #FIXED ''>
+ <!ELEMENT policy EMPTY>
+ <!ATTLIST policy xmlns CDATA #FIXED '' domain NMTOKEN #REQUIRED
name NMTOKEN #IMPLIED pattern CDATA #IMPLIED rights
NMTOKEN #IMPLIED
stealth NMTOKEN #IMPLIED value CDATA #IMPLIED>
- ]>
- <policymap>
- <policy domain="coder" rights="read | write" pattern="PS" />
- <policy domain="coder" rights="read | write" pattern="PS2" />
- <policy domain="coder" rights="read | write" pattern="PS3" />
- <policy domain="coder" rights="read | write" pattern="EPS" />
- <policy domain="coder" rights="read | write" pattern="PDF" />
- <policy domain="coder" rights="read | write" pattern="XPS" />
- </policymap>
- EOF
+ ]>
+ <policymap>
+ <policy domain="coder" rights="read | write"
pattern="PS" />
+ <policy domain="coder" rights="read | write"
pattern="PS2" />
+ <policy domain="coder" rights="read | write"
pattern="PS3" />
+ <policy domain="coder" rights="read | write"
pattern="EPS" />
+ <policy domain="coder" rights="read | write"
pattern="PDF" />
+ <policy domain="coder" rights="read | write"
pattern="XPS" />
+ </policymap>
+ EOF
+ fi
}
src_configure() {
@@ -208,7 +212,7 @@ src_configure() {
-DGMX_OPENMP=$(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
- <?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
+ if use build-manual; then
+ # try to create policy for imagemagik
+ mkdir -p ${HOME}/.config/ImageMagick
+ cat >> ${HOME}/.config/ImageMagick/policy.xml <<- EOF
+ <?xml version="1.0" encoding="UTF-8"?>
+ <!DOCTYPE policymap [
+ <!ELEMENT policymap (policy)+>
+ !ATTLIST policymap xmlns CDATA #FIXED ''>
+ <!ELEMENT policy EMPTY>
+ <!ATTLIST policy xmlns CDATA #FIXED '' domain NMTOKEN #REQUIRED
name NMTOKEN #IMPLIED pattern CDATA #IMPLIED rights
NMTOKEN #IMPLIED
stealth NMTOKEN #IMPLIED value CDATA #IMPLIED>
- ]>
- <policymap>
- <policy domain="coder" rights="read | write" pattern="PS" />
- <policy domain="coder" rights="read | write" pattern="PS2" />
- <policy domain="coder" rights="read | write" pattern="PS3" />
- <policy domain="coder" rights="read | write" pattern="EPS" />
- <policy domain="coder" rights="read | write" pattern="PDF" />
- <policy domain="coder" rights="read | write" pattern="XPS" />
- </policymap>
- EOF
+ ]>
+ <policymap>
+ <policy domain="coder" rights="read | write"
pattern="PS" />
+ <policy domain="coder" rights="read | write"
pattern="PS2" />
+ <policy domain="coder" rights="read | write"
pattern="PS3" />
+ <policy domain="coder" rights="read | write"
pattern="EPS" />
+ <policy domain="coder" rights="read | write"
pattern="PDF" />
+ <policy domain="coder" rights="read | write"
pattern="XPS" />
+ </policymap>
+ EOF
+ fi
}
src_configure() {
@@ -218,7 +222,7 @@ src_configure() {
-DGMX_OPENMP=$(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
- <?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
+ if use build-manual; then
+ # try to create policy for imagemagik
+ mkdir -p ${HOME}/.config/ImageMagick
+ cat >> ${HOME}/.config/ImageMagick/policy.xml <<- EOF
+ <?xml version="1.0" encoding="UTF-8"?>
+ <!DOCTYPE policymap [
+ <!ELEMENT policymap (policy)+>
+ !ATTLIST policymap xmlns CDATA #FIXED ''>
+ <!ELEMENT policy EMPTY>
+ <!ATTLIST policy xmlns CDATA #FIXED '' domain NMTOKEN #REQUIRED
name NMTOKEN #IMPLIED pattern CDATA #IMPLIED rights
NMTOKEN #IMPLIED
stealth NMTOKEN #IMPLIED value CDATA #IMPLIED>
- ]>
- <policymap>
- <policy domain="coder" rights="read | write" pattern="PS" />
- <policy domain="coder" rights="read | write" pattern="PS2" />
- <policy domain="coder" rights="read | write" pattern="PS3" />
- <policy domain="coder" rights="read | write" pattern="EPS" />
- <policy domain="coder" rights="read | write" pattern="PDF" />
- <policy domain="coder" rights="read | write" pattern="XPS" />
- </policymap>
- EOF
+ ]>
+ <policymap>
+ <policy domain="coder" rights="read | write"
pattern="PS" />
+ <policy domain="coder" rights="read | write"
pattern="PS2" />
+ <policy domain="coder" rights="read | write"
pattern="PS3" />
+ <policy domain="coder" rights="read | write"
pattern="EPS" />
+ <policy domain="coder" rights="read | write"
pattern="PDF" />
+ <policy domain="coder" rights="read | write"
pattern="XPS" />
+ </policymap>
+ EOF
+ fi
}
src_configure() {
@@ -218,7 +222,7 @@ src_configure() {
-DGMX_OPENMP=$(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
- <?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
+ if use build-manual; then
+ # try to create policy for imagemagik
+ mkdir -p ${HOME}/.config/ImageMagick
+ cat >> ${HOME}/.config/ImageMagick/policy.xml <<- EOF
+ <?xml version="1.0" encoding="UTF-8"?>
+ <!DOCTYPE policymap [
+ <!ELEMENT policymap (policy)+>
+ !ATTLIST policymap xmlns CDATA #FIXED ''>
+ <!ELEMENT policy EMPTY>
+ <!ATTLIST policy xmlns CDATA #FIXED '' domain NMTOKEN #REQUIRED
name NMTOKEN #IMPLIED pattern CDATA #IMPLIED rights
NMTOKEN #IMPLIED
stealth NMTOKEN #IMPLIED value CDATA #IMPLIED>
- ]>
- <policymap>
- <policy domain="coder" rights="read | write" pattern="PS" />
- <policy domain="coder" rights="read | write" pattern="PS2" />
- <policy domain="coder" rights="read | write" pattern="PS3" />
- <policy domain="coder" rights="read | write" pattern="EPS" />
- <policy domain="coder" rights="read | write" pattern="PDF" />
- <policy domain="coder" rights="read | write" pattern="XPS" />
- </policymap>
- EOF
+ ]>
+ <policymap>
+ <policy domain="coder" rights="read | write"
pattern="PS" />
+ <policy domain="coder" rights="read | write"
pattern="PS2" />
+ <policy domain="coder" rights="read | write"
pattern="PS3" />
+ <policy domain="coder" rights="read | write"
pattern="EPS" />
+ <policy domain="coder" rights="read | write"
pattern="PDF" />
+ <policy domain="coder" rights="read | write"
pattern="XPS" />
+ </policymap>
+ EOF
+ fi
}
src_configure() {
@@ -213,7 +217,7 @@ src_configure() {
-DGMX_OPENMP=$(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
- <?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
+ if use build-manual; then
+ # try to create policy for imagemagik
+ mkdir -p ${HOME}/.config/ImageMagick
+ cat >> ${HOME}/.config/ImageMagick/policy.xml <<- EOF
+ <?xml version="1.0" encoding="UTF-8"?>
+ <!DOCTYPE policymap [
+ <!ELEMENT policymap (policy)+>
+ !ATTLIST policymap xmlns CDATA #FIXED ''>
+ <!ELEMENT policy EMPTY>
+ <!ATTLIST policy xmlns CDATA #FIXED '' domain NMTOKEN #REQUIRED
name NMTOKEN #IMPLIED pattern CDATA #IMPLIED rights
NMTOKEN #IMPLIED
stealth NMTOKEN #IMPLIED value CDATA #IMPLIED>
- ]>
- <policymap>
- <policy domain="coder" rights="read | write" pattern="PS" />
- <policy domain="coder" rights="read | write" pattern="PS2" />
- <policy domain="coder" rights="read | write" pattern="PS3" />
- <policy domain="coder" rights="read | write" pattern="EPS" />
- <policy domain="coder" rights="read | write" pattern="PDF" />
- <policy domain="coder" rights="read | write" pattern="XPS" />
- </policymap>
- EOF
+ ]>
+ <policymap>
+ <policy domain="coder" rights="read | write"
pattern="PS" />
+ <policy domain="coder" rights="read | write"
pattern="PS2" />
+ <policy domain="coder" rights="read | write"
pattern="PS3" />
+ <policy domain="coder" rights="read | write"
pattern="EPS" />
+ <policy domain="coder" rights="read | write"
pattern="PDF" />
+ <policy domain="coder" rights="read | write"
pattern="XPS" />
+ </policymap>
+ EOF
+ fi
}
src_configure() {
@@ -215,7 +219,7 @@ src_configure() {
-DGMX_OPENMP=$(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 @@
<name>Gentoo Chemistry Project</name>
</maintainer>
<use>
+ <flag name="build-manual">Build manual instead of downloading
it</flag>
<flag name="cuda">Enable cuda non-bonded kernels</flag>
<flag name="double-precision">More precise calculations at the
expense of speed</flag>
<flag name="gmxapi">Add support for gmxapi library</flag>
