| 1 |
commit: 48e8d1fbc7aecb38c2e1623d1e89458833d90d5b |
| 2 |
Author: Alexey Shvetsov <alexxy <AT> gentoo <DOT> org> |
| 3 |
AuthorDate: Thu Jun 17 10:18:47 2021 +0000 |
| 4 |
Commit: Alexey Shvetsov <alexxy <AT> gentoo <DOT> org> |
| 5 |
CommitDate: Thu Jun 17 10:18:58 2021 +0000 |
| 6 |
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=48e8d1fb |
| 7 |
|
| 8 |
sci-chemistry/gromacs: Allow to download manual instead of building it |
| 9 |
|
| 10 |
Package-Manager: Portage-3.0.20, Repoman-3.0.3 |
| 11 |
Signed-off-by: Alexey Shvetsov <alexxy <AT> gentoo.org> |
| 12 |
|
| 13 |
sci-chemistry/gromacs/Manifest | 6 +++ |
| 14 |
sci-chemistry/gromacs/gromacs-2020.4.ebuild | 59 +++++++++++++++----------- |
| 15 |
sci-chemistry/gromacs/gromacs-2020.5.ebuild | 59 +++++++++++++++----------- |
| 16 |
sci-chemistry/gromacs/gromacs-2020.6.ebuild | 59 +++++++++++++++----------- |
| 17 |
sci-chemistry/gromacs/gromacs-2020.9999.ebuild | 59 +++++++++++++++----------- |
| 18 |
sci-chemistry/gromacs/gromacs-2021.1.ebuild | 59 +++++++++++++++----------- |
| 19 |
sci-chemistry/gromacs/gromacs-2021.2.ebuild | 59 +++++++++++++++----------- |
| 20 |
sci-chemistry/gromacs/gromacs-2021.9999.ebuild | 59 +++++++++++++++----------- |
| 21 |
sci-chemistry/gromacs/gromacs-2021.ebuild | 59 +++++++++++++++----------- |
| 22 |
sci-chemistry/gromacs/metadata.xml | 1 + |
| 23 |
10 files changed, 279 insertions(+), 200 deletions(-) |
| 24 |
|
| 25 |
diff --git a/sci-chemistry/gromacs/Manifest b/sci-chemistry/gromacs/Manifest |
| 26 |
index bf643a26eb3..001d1215733 100644 |
| 27 |
--- a/sci-chemistry/gromacs/Manifest |
| 28 |
+++ b/sci-chemistry/gromacs/Manifest |
| 29 |
@@ -8,6 +8,12 @@ DIST gromacs-2021.2.tar.gz 37976386 BLAKE2B 8818321bbcbdee25356bbf909d9c667f9d7c |
| 30 |
DIST gromacs-2021.tar.gz 35061679 BLAKE2B a7d8bd728480455e5c069392e3921a4f788802ec164ee24241cac9bc7c555cee07ef26853efa61e40a787fa87e6d20af35d56b98ac6a3757ef07fc4176679e19 SHA512 10d9d64b3c2329613a18d861589428841f55bede45e1800aec25246258209be1385aabaa0d5b52425c0ac21804c38b401db76448bb539ff3cf25f8b94e09575c |
| 31 |
DIST manual-2018.8.pdf 10025023 BLAKE2B afb0a6e6a72d78df743fcb57e7c1716848589e571dd35167b957a9b407ca27978ccfb6cb9e0df9c9439b888f352501a00ba32281ed1e0b4193bd606f1d77152e SHA512 b1972f7ce965bfc9377542993c5943ea4868a8ed23a969d4203264746d6bea3a7a65c6379196ece37fd6d68ec7ec80f827bde87d1049284af7082759a124f1d5 |
| 32 |
DIST manual-2019.6.pdf 12702376 BLAKE2B c350127bc06a9eb3dee73da39037c84daeb89500e23cb131bd19a150bf60602d4dde7611e0c6f0f344af4093e96a899303dac71b4df56fd0c44c3a48a56606b7 SHA512 dfdff67c2c1c9ce1f1c236b7686c5331b0fe86951da6c98eddd6a3e748815e0be0a9653ae4318469fcdd913c4e7c355d64a997cc80b9d9fbe6282ef6d98e61eb |
| 33 |
+DIST manual-2020.4.pdf 11851608 BLAKE2B 7b7bdf08e8946fcc448543b08391b94a67fee60a8c810597c1f09f70443f9d7db817c99622dd0c21c6317f5fdcd6c4a88589ecac57055cb0cd8597d6021026e7 SHA512 928555663c77de36393e625c29d388d4e1c8c1298e7a993d871839e0d4d8d18d190221ad8f1d975bd072bdd6a061e9ea5b9295f2ecf45f24b6523ea5ea290fed |
| 34 |
+DIST manual-2020.5.pdf 11850797 BLAKE2B b605de81cce385177f278b563526725688b4c2b0326f6f2c22bddc9b455c016365ee82731ad0ef2b2c9522e7d140c4a097b7a25f91552be60741d876bcc4c929 SHA512 0fa81494dbb4cb71c274fa1d1b1ef13bc5be8e69be841d429d06d5e9ef5517158b2130c0120ef6de13e73de5cd8af941c7b983ddba1da8af8214272704ce629e |
| 35 |
+DIST manual-2020.6.pdf 11850850 BLAKE2B 155e4eb9c200dcd0a38e3669b26077fcf310d437b82d9a593d333dada3989c2c8a936d62c642e195f98bb474b1673b8142405c467348fc96a74d57fb12106d76 SHA512 be508ebec597b82a2c4056029f8bb731b22cb8902628a45462ed21af54c554d28e07d5381efaaa96565202b7b47d33aea67950206cd9e8936211ae721b21b3e1 |
| 36 |
+DIST manual-2021.1.pdf 12252366 BLAKE2B c3f104f3a5c8b784b78bdb027ae3bf818977fd86e15b81760877423805d74f468417df6ad57b240d138f4ee4c567c2e7676c0084911ee1400ebfa7bab2673901 SHA512 8d4468da400abb39c307b1f31f5b4b4ae52152df1fb5bc7059a37072cd2a20136858d7280ea6a7138fe6c18e04821386d72f1ac4ee9a303e359e1d52b5250f12 |
| 37 |
+DIST manual-2021.2.pdf 12252501 BLAKE2B 0dbf9024e1516076b0eeb46e41523b966d1d81f57504fe0501c7bc8575e74fb19e3452ac584757e425bcccbc737367fe83be87fd21a4287f4675cf87184b960b SHA512 14156d3b1017990e0be3ceb7ec055777a1aec4c347ac2e821a042d51c931f84ebca862f60644a90ed7ba4070cb14ff8babcde3e4351e4dbec84df8563e350984 |
| 38 |
+DIST manual-2021.pdf 12251377 BLAKE2B 6b3c80fedf04b3cdc05ec9b52e0dd78c0c7abf2d9819c00ad29e1d7e2dd829cfc0e61c86c899859ac6af6b631f856737810f05f9c903456805b5b9c9c6c85c16 SHA512 1bd61e4d052ebe4ff293be710159f135013d38f1299557d0b0e5edcf60d288d8534694896a1feebe572f52187f85e890e59b7c71644a0c03bd264cfae6d348bc |
| 39 |
DIST regressiontests-2018.8.tar.gz 67855469 BLAKE2B 34c9b339f6229f483afbb5192ee6ba8b8f72d5c26907a853af9c53dfece0d88739e48f6b44b78d1c010f988f9385d077285300522164f533a5861e9dda879275 SHA512 3642389d27bd1942cd0f091c940ae97b197b94856a387fe581dc516b0d4169480f16551d4ba357f9282b3337d605c286d51dd38112ac87c826dda634904836bb |
| 40 |
DIST regressiontests-2019.6.tar.gz 67643195 BLAKE2B 1e054e24b187946f7ea28090d4f20cf8e1d79a26253f57ba07d130e0773d8541b8a1552a38023d31a68ce8bc62d8e0af1d98609234bb3e7d3e6d567307ebb386 SHA512 eacf1c55b982515a305c29459fe80a7cd558a8481e5689962aa956148af542568b1d1ce59c6784ecb0afd4768c2b664afa21e12af2d89ae2b06b1ba61ad72036 |
| 41 |
DIST regressiontests-2020.4.tar.gz 48542144 BLAKE2B 1dcde67525d40ababa74d9e8ba2dd3fdef1de7d1018491e102edd71d3a622925f213b5a0812e5448882b4cb5fb578317e8e5029bdc4bd53008aa8441a3d9dea1 SHA512 7c71f36a1cef22562f14dcd233e90ad2fe370ae1a7d3b5268727259b374e12d4754253735ac8745d3738bdbc1cc2067780fda5e393be2ff264f632fe4e0c1978 |
| 42 |
|
| 43 |
diff --git a/sci-chemistry/gromacs/gromacs-2020.4.ebuild b/sci-chemistry/gromacs/gromacs-2020.4.ebuild |
| 44 |
index d04309a01fc..266941a81e3 100644 |
| 45 |
--- a/sci-chemistry/gromacs/gromacs-2020.4.ebuild |
| 46 |
+++ b/sci-chemistry/gromacs/gromacs-2020.4.ebuild |
| 47 |
@@ -7,6 +7,7 @@ CMAKE_MAKEFILE_GENERATOR="ninja" |
| 48 |
|
| 49 |
PYTHON_COMPAT=( python3_{7,8,9} ) |
| 50 |
|
| 51 |
+DISTUTILS_USE_SETUPTOOLS=no |
| 52 |
DISTUTILS_SINGLE_IMPL=1 |
| 53 |
|
| 54 |
inherit bash-completion-r1 cmake cuda distutils-r1 flag-o-matic multilib readme.gentoo-r1 toolchain-funcs xdg-utils |
| 55 |
@@ -21,6 +22,7 @@ if [[ ${PV} = *9999* ]]; then |
| 56 |
else |
| 57 |
SRC_URI=" |
| 58 |
http://ftp.gromacs.org/gromacs/${PN}-${PV/_/-}.tar.gz |
| 59 |
+ doc? ( https://ftp.gromacs.org/manual/manual-${PV/_/-}.pdf ) |
| 60 |
test? ( http://ftp.gromacs.org/regressiontests/regressiontests-${PV/_/-}.tar.gz )" |
| 61 |
KEYWORDS="amd64 arm x86 ~amd64-linux ~x86-linux ~x64-macos" |
| 62 |
fi |
| 63 |
@@ -35,7 +37,7 @@ HOMEPAGE="http://www.gromacs.org/" |
| 64 |
# base, vmd plugins, fftpack from numpy, blas/lapck from netlib, memtestG80 library, mpi_thread lib |
| 65 |
LICENSE="LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )" |
| 66 |
SLOT="0/${PV}" |
| 67 |
-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}" |
| 68 |
+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 ${ACCE_IUSE}" |
| 69 |
|
| 70 |
CDEPEND=" |
| 71 |
X? ( |
| 72 |
@@ -57,7 +59,7 @@ CDEPEND=" |
| 73 |
" |
| 74 |
BDEPEND="${CDEPEND} |
| 75 |
virtual/pkgconfig |
| 76 |
- doc? ( |
| 77 |
+ build-manual? ( |
| 78 |
app-doc/doxygen |
| 79 |
$(python_gen_cond_dep ' |
| 80 |
dev-python/sphinx[${PYTHON_MULTI_USEDEP}] |
| 81 |
@@ -72,6 +74,7 @@ RDEPEND="${CDEPEND}" |
| 82 |
|
| 83 |
REQUIRED_USE=" |
| 84 |
|| ( single-precision double-precision ) |
| 85 |
+ || ( doc build-manual ) |
| 86 |
cuda? ( single-precision ) |
| 87 |
cuda? ( !opencl ) |
| 88 |
mkl? ( !blas !fftw !lapack ) |
| 89 |
@@ -133,28 +136,29 @@ src_prepare() { |
| 90 |
fi |
| 91 |
|
| 92 |
DOC_CONTENTS="Gromacs can use sci-chemistry/vmd to read additional file formats" |
| 93 |
- |
| 94 |
- # try to create policy for imagemagik |
| 95 |
- mkdir -p ${HOME}/.config/ImageMagick |
| 96 |
- cat >> ${HOME}/.config/ImageMagick/policy.xml <<- EOF |
| 97 |
- <?xml version="1.0" encoding="UTF-8"?> |
| 98 |
- <!DOCTYPE policymap [ |
| 99 |
- <!ELEMENT policymap (policy)+> |
| 100 |
- !ATTLIST policymap xmlns CDATA #FIXED ''> |
| 101 |
- <!ELEMENT policy EMPTY> |
| 102 |
- <!ATTLIST policy xmlns CDATA #FIXED '' domain NMTOKEN #REQUIRED |
| 103 |
+ if use build-manual; then |
| 104 |
+ # try to create policy for imagemagik |
| 105 |
+ mkdir -p ${HOME}/.config/ImageMagick |
| 106 |
+ cat >> ${HOME}/.config/ImageMagick/policy.xml <<- EOF |
| 107 |
+ <?xml version="1.0" encoding="UTF-8"?> |
| 108 |
+ <!DOCTYPE policymap [ |
| 109 |
+ <!ELEMENT policymap (policy)+> |
| 110 |
+ !ATTLIST policymap xmlns CDATA #FIXED ''> |
| 111 |
+ <!ELEMENT policy EMPTY> |
| 112 |
+ <!ATTLIST policy xmlns CDATA #FIXED '' domain NMTOKEN #REQUIRED |
| 113 |
name NMTOKEN #IMPLIED pattern CDATA #IMPLIED rights NMTOKEN #IMPLIED |
| 114 |
stealth NMTOKEN #IMPLIED value CDATA #IMPLIED> |
| 115 |
- ]> |
| 116 |
- <policymap> |
| 117 |
- <policy domain="coder" rights="read | write" pattern="PS" /> |
| 118 |
- <policy domain="coder" rights="read | write" pattern="PS2" /> |
| 119 |
- <policy domain="coder" rights="read | write" pattern="PS3" /> |
| 120 |
- <policy domain="coder" rights="read | write" pattern="EPS" /> |
| 121 |
- <policy domain="coder" rights="read | write" pattern="PDF" /> |
| 122 |
- <policy domain="coder" rights="read | write" pattern="XPS" /> |
| 123 |
- </policymap> |
| 124 |
- EOF |
| 125 |
+ ]> |
| 126 |
+ <policymap> |
| 127 |
+ <policy domain="coder" rights="read | write" pattern="PS" /> |
| 128 |
+ <policy domain="coder" rights="read | write" pattern="PS2" /> |
| 129 |
+ <policy domain="coder" rights="read | write" pattern="PS3" /> |
| 130 |
+ <policy domain="coder" rights="read | write" pattern="EPS" /> |
| 131 |
+ <policy domain="coder" rights="read | write" pattern="PDF" /> |
| 132 |
+ <policy domain="coder" rights="read | write" pattern="XPS" /> |
| 133 |
+ </policymap> |
| 134 |
+ EOF |
| 135 |
+ fi |
| 136 |
} |
| 137 |
|
| 138 |
src_configure() { |
| 139 |
@@ -208,7 +212,7 @@ src_configure() { |
| 140 |
-DGMX_OPENMP=$(usex openmp) |
| 141 |
-DGMX_COOL_QUOTES=$(usex offensive) |
| 142 |
-DGMX_USE_TNG=$(usex tng) |
| 143 |
- -DGMX_BUILD_MANUAL=$(usex doc) |
| 144 |
+ -DGMX_BUILD_MANUAL=$(usex build-manual) |
| 145 |
-DGMX_HWLOC=$(usex hwloc) |
| 146 |
-DGMX_DEFAULT_SUFFIX=off |
| 147 |
-DGMX_SIMD="$acce" |
| 148 |
@@ -282,7 +286,7 @@ src_compile() { |
| 149 |
distutils-r1_src_compile |
| 150 |
fi |
| 151 |
# not 100% necessary for rel ebuilds as available from website |
| 152 |
- if use doc; then |
| 153 |
+ if use build-manual; then |
| 154 |
BUILD_DIR="${WORKDIR}/${P}_${x}"\ |
| 155 |
cmake_src_compile manual |
| 156 |
fi |
| 157 |
@@ -308,9 +312,14 @@ src_install() { |
| 158 |
BUILD_DIR="${WORKDIR}/${P}_${x}" \ |
| 159 |
cmake_src_install python_packaging/install |
| 160 |
fi |
| 161 |
- if use doc; then |
| 162 |
+ if use build-manual; then |
| 163 |
newdoc "${WORKDIR}/${P}_${x}"/docs/manual/gromacs.pdf "${PN}-manual-${PV}.pdf" |
| 164 |
fi |
| 165 |
+ |
| 166 |
+ if use doc; then |
| 167 |
+ newdoc "${DISTDIR}/manual-${PV}.pdf" "${PN}-manual-${PV}.pdf" |
| 168 |
+ fi |
| 169 |
+ |
| 170 |
use mpi || continue |
| 171 |
BUILD_DIR="${WORKDIR}/${P}_${x}_mpi" \ |
| 172 |
cmake_src_install |
| 173 |
|
| 174 |
diff --git a/sci-chemistry/gromacs/gromacs-2020.5.ebuild b/sci-chemistry/gromacs/gromacs-2020.5.ebuild |
| 175 |
index 59a15623555..41ac7771497 100644 |
| 176 |
--- a/sci-chemistry/gromacs/gromacs-2020.5.ebuild |
| 177 |
+++ b/sci-chemistry/gromacs/gromacs-2020.5.ebuild |
| 178 |
@@ -7,6 +7,7 @@ CMAKE_MAKEFILE_GENERATOR="ninja" |
| 179 |
|
| 180 |
PYTHON_COMPAT=( python3_{7,8,9} ) |
| 181 |
|
| 182 |
+DISTUTILS_USE_SETUPTOOLS=no |
| 183 |
DISTUTILS_SINGLE_IMPL=1 |
| 184 |
|
| 185 |
inherit bash-completion-r1 cmake cuda distutils-r1 flag-o-matic multilib readme.gentoo-r1 toolchain-funcs xdg-utils |
| 186 |
@@ -21,6 +22,7 @@ if [[ ${PV} = *9999* ]]; then |
| 187 |
else |
| 188 |
SRC_URI=" |
| 189 |
http://ftp.gromacs.org/gromacs/${PN}-${PV/_/-}.tar.gz |
| 190 |
+ doc? ( https://ftp.gromacs.org/manual/manual-${PV/_/-}.pdf ) |
| 191 |
test? ( http://ftp.gromacs.org/regressiontests/regressiontests-${PV/_/-}.tar.gz )" |
| 192 |
KEYWORDS="~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos" |
| 193 |
fi |
| 194 |
@@ -35,7 +37,7 @@ HOMEPAGE="http://www.gromacs.org/" |
| 195 |
# base, vmd plugins, fftpack from numpy, blas/lapck from netlib, memtestG80 library, mpi_thread lib |
| 196 |
LICENSE="LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )" |
| 197 |
SLOT="0/${PV}" |
| 198 |
-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}" |
| 199 |
+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 ${ACCE_IUSE}" |
| 200 |
|
| 201 |
CDEPEND=" |
| 202 |
X? ( |
| 203 |
@@ -57,7 +59,7 @@ CDEPEND=" |
| 204 |
" |
| 205 |
BDEPEND="${CDEPEND} |
| 206 |
virtual/pkgconfig |
| 207 |
- doc? ( |
| 208 |
+ build-manual? ( |
| 209 |
app-doc/doxygen |
| 210 |
$(python_gen_cond_dep ' |
| 211 |
dev-python/sphinx[${PYTHON_MULTI_USEDEP}] |
| 212 |
@@ -72,6 +74,7 @@ RDEPEND="${CDEPEND}" |
| 213 |
|
| 214 |
REQUIRED_USE=" |
| 215 |
|| ( single-precision double-precision ) |
| 216 |
+ || ( doc build-manual ) |
| 217 |
cuda? ( single-precision ) |
| 218 |
cuda? ( !opencl ) |
| 219 |
mkl? ( !blas !fftw !lapack ) |
| 220 |
@@ -133,28 +136,29 @@ src_prepare() { |
| 221 |
fi |
| 222 |
|
| 223 |
DOC_CONTENTS="Gromacs can use sci-chemistry/vmd to read additional file formats" |
| 224 |
- |
| 225 |
- # try to create policy for imagemagik |
| 226 |
- mkdir -p ${HOME}/.config/ImageMagick |
| 227 |
- cat >> ${HOME}/.config/ImageMagick/policy.xml <<- EOF |
| 228 |
- <?xml version="1.0" encoding="UTF-8"?> |
| 229 |
- <!DOCTYPE policymap [ |
| 230 |
- <!ELEMENT policymap (policy)+> |
| 231 |
- !ATTLIST policymap xmlns CDATA #FIXED ''> |
| 232 |
- <!ELEMENT policy EMPTY> |
| 233 |
- <!ATTLIST policy xmlns CDATA #FIXED '' domain NMTOKEN #REQUIRED |
| 234 |
+ if use build-manual; then |
| 235 |
+ # try to create policy for imagemagik |
| 236 |
+ mkdir -p ${HOME}/.config/ImageMagick |
| 237 |
+ cat >> ${HOME}/.config/ImageMagick/policy.xml <<- EOF |
| 238 |
+ <?xml version="1.0" encoding="UTF-8"?> |
| 239 |
+ <!DOCTYPE policymap [ |
| 240 |
+ <!ELEMENT policymap (policy)+> |
| 241 |
+ !ATTLIST policymap xmlns CDATA #FIXED ''> |
| 242 |
+ <!ELEMENT policy EMPTY> |
| 243 |
+ <!ATTLIST policy xmlns CDATA #FIXED '' domain NMTOKEN #REQUIRED |
| 244 |
name NMTOKEN #IMPLIED pattern CDATA #IMPLIED rights NMTOKEN #IMPLIED |
| 245 |
stealth NMTOKEN #IMPLIED value CDATA #IMPLIED> |
| 246 |
- ]> |
| 247 |
- <policymap> |
| 248 |
- <policy domain="coder" rights="read | write" pattern="PS" /> |
| 249 |
- <policy domain="coder" rights="read | write" pattern="PS2" /> |
| 250 |
- <policy domain="coder" rights="read | write" pattern="PS3" /> |
| 251 |
- <policy domain="coder" rights="read | write" pattern="EPS" /> |
| 252 |
- <policy domain="coder" rights="read | write" pattern="PDF" /> |
| 253 |
- <policy domain="coder" rights="read | write" pattern="XPS" /> |
| 254 |
- </policymap> |
| 255 |
- EOF |
| 256 |
+ ]> |
| 257 |
+ <policymap> |
| 258 |
+ <policy domain="coder" rights="read | write" pattern="PS" /> |
| 259 |
+ <policy domain="coder" rights="read | write" pattern="PS2" /> |
| 260 |
+ <policy domain="coder" rights="read | write" pattern="PS3" /> |
| 261 |
+ <policy domain="coder" rights="read | write" pattern="EPS" /> |
| 262 |
+ <policy domain="coder" rights="read | write" pattern="PDF" /> |
| 263 |
+ <policy domain="coder" rights="read | write" pattern="XPS" /> |
| 264 |
+ </policymap> |
| 265 |
+ EOF |
| 266 |
+ fi |
| 267 |
} |
| 268 |
|
| 269 |
src_configure() { |
| 270 |
@@ -208,7 +212,7 @@ src_configure() { |
| 271 |
-DGMX_OPENMP=$(usex openmp) |
| 272 |
-DGMX_COOL_QUOTES=$(usex offensive) |
| 273 |
-DGMX_USE_TNG=$(usex tng) |
| 274 |
- -DGMX_BUILD_MANUAL=$(usex doc) |
| 275 |
+ -DGMX_BUILD_MANUAL=$(usex build-manual) |
| 276 |
-DGMX_HWLOC=$(usex hwloc) |
| 277 |
-DGMX_DEFAULT_SUFFIX=off |
| 278 |
-DGMX_SIMD="$acce" |
| 279 |
@@ -282,7 +286,7 @@ src_compile() { |
| 280 |
distutils-r1_src_compile |
| 281 |
fi |
| 282 |
# not 100% necessary for rel ebuilds as available from website |
| 283 |
- if use doc; then |
| 284 |
+ if use build-manual; then |
| 285 |
BUILD_DIR="${WORKDIR}/${P}_${x}"\ |
| 286 |
cmake_src_compile manual |
| 287 |
fi |
| 288 |
@@ -308,9 +312,14 @@ src_install() { |
| 289 |
BUILD_DIR="${WORKDIR}/${P}_${x}" \ |
| 290 |
cmake_src_install python_packaging/install |
| 291 |
fi |
| 292 |
- if use doc; then |
| 293 |
+ if use build-manual; then |
| 294 |
newdoc "${WORKDIR}/${P}_${x}"/docs/manual/gromacs.pdf "${PN}-manual-${PV}.pdf" |
| 295 |
fi |
| 296 |
+ |
| 297 |
+ if use doc; then |
| 298 |
+ newdoc "${DISTDIR}/manual-${PV}.pdf" "${PN}-manual-${PV}.pdf" |
| 299 |
+ fi |
| 300 |
+ |
| 301 |
use mpi || continue |
| 302 |
BUILD_DIR="${WORKDIR}/${P}_${x}_mpi" \ |
| 303 |
cmake_src_install |
| 304 |
|
| 305 |
diff --git a/sci-chemistry/gromacs/gromacs-2020.6.ebuild b/sci-chemistry/gromacs/gromacs-2020.6.ebuild |
| 306 |
index 59a15623555..41ac7771497 100644 |
| 307 |
--- a/sci-chemistry/gromacs/gromacs-2020.6.ebuild |
| 308 |
+++ b/sci-chemistry/gromacs/gromacs-2020.6.ebuild |
| 309 |
@@ -7,6 +7,7 @@ CMAKE_MAKEFILE_GENERATOR="ninja" |
| 310 |
|
| 311 |
PYTHON_COMPAT=( python3_{7,8,9} ) |
| 312 |
|
| 313 |
+DISTUTILS_USE_SETUPTOOLS=no |
| 314 |
DISTUTILS_SINGLE_IMPL=1 |
| 315 |
|
| 316 |
inherit bash-completion-r1 cmake cuda distutils-r1 flag-o-matic multilib readme.gentoo-r1 toolchain-funcs xdg-utils |
| 317 |
@@ -21,6 +22,7 @@ if [[ ${PV} = *9999* ]]; then |
| 318 |
else |
| 319 |
SRC_URI=" |
| 320 |
http://ftp.gromacs.org/gromacs/${PN}-${PV/_/-}.tar.gz |
| 321 |
+ doc? ( https://ftp.gromacs.org/manual/manual-${PV/_/-}.pdf ) |
| 322 |
test? ( http://ftp.gromacs.org/regressiontests/regressiontests-${PV/_/-}.tar.gz )" |
| 323 |
KEYWORDS="~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos" |
| 324 |
fi |
| 325 |
@@ -35,7 +37,7 @@ HOMEPAGE="http://www.gromacs.org/" |
| 326 |
# base, vmd plugins, fftpack from numpy, blas/lapck from netlib, memtestG80 library, mpi_thread lib |
| 327 |
LICENSE="LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )" |
| 328 |
SLOT="0/${PV}" |
| 329 |
-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}" |
| 330 |
+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 ${ACCE_IUSE}" |
| 331 |
|
| 332 |
CDEPEND=" |
| 333 |
X? ( |
| 334 |
@@ -57,7 +59,7 @@ CDEPEND=" |
| 335 |
" |
| 336 |
BDEPEND="${CDEPEND} |
| 337 |
virtual/pkgconfig |
| 338 |
- doc? ( |
| 339 |
+ build-manual? ( |
| 340 |
app-doc/doxygen |
| 341 |
$(python_gen_cond_dep ' |
| 342 |
dev-python/sphinx[${PYTHON_MULTI_USEDEP}] |
| 343 |
@@ -72,6 +74,7 @@ RDEPEND="${CDEPEND}" |
| 344 |
|
| 345 |
REQUIRED_USE=" |
| 346 |
|| ( single-precision double-precision ) |
| 347 |
+ || ( doc build-manual ) |
| 348 |
cuda? ( single-precision ) |
| 349 |
cuda? ( !opencl ) |
| 350 |
mkl? ( !blas !fftw !lapack ) |
| 351 |
@@ -133,28 +136,29 @@ src_prepare() { |
| 352 |
fi |
| 353 |
|
| 354 |
DOC_CONTENTS="Gromacs can use sci-chemistry/vmd to read additional file formats" |
| 355 |
- |
| 356 |
- # try to create policy for imagemagik |
| 357 |
- mkdir -p ${HOME}/.config/ImageMagick |
| 358 |
- cat >> ${HOME}/.config/ImageMagick/policy.xml <<- EOF |
| 359 |
- <?xml version="1.0" encoding="UTF-8"?> |
| 360 |
- <!DOCTYPE policymap [ |
| 361 |
- <!ELEMENT policymap (policy)+> |
| 362 |
- !ATTLIST policymap xmlns CDATA #FIXED ''> |
| 363 |
- <!ELEMENT policy EMPTY> |
| 364 |
- <!ATTLIST policy xmlns CDATA #FIXED '' domain NMTOKEN #REQUIRED |
| 365 |
+ if use build-manual; then |
| 366 |
+ # try to create policy for imagemagik |
| 367 |
+ mkdir -p ${HOME}/.config/ImageMagick |
| 368 |
+ cat >> ${HOME}/.config/ImageMagick/policy.xml <<- EOF |
| 369 |
+ <?xml version="1.0" encoding="UTF-8"?> |
| 370 |
+ <!DOCTYPE policymap [ |
| 371 |
+ <!ELEMENT policymap (policy)+> |
| 372 |
+ !ATTLIST policymap xmlns CDATA #FIXED ''> |
| 373 |
+ <!ELEMENT policy EMPTY> |
| 374 |
+ <!ATTLIST policy xmlns CDATA #FIXED '' domain NMTOKEN #REQUIRED |
| 375 |
name NMTOKEN #IMPLIED pattern CDATA #IMPLIED rights NMTOKEN #IMPLIED |
| 376 |
stealth NMTOKEN #IMPLIED value CDATA #IMPLIED> |
| 377 |
- ]> |
| 378 |
- <policymap> |
| 379 |
- <policy domain="coder" rights="read | write" pattern="PS" /> |
| 380 |
- <policy domain="coder" rights="read | write" pattern="PS2" /> |
| 381 |
- <policy domain="coder" rights="read | write" pattern="PS3" /> |
| 382 |
- <policy domain="coder" rights="read | write" pattern="EPS" /> |
| 383 |
- <policy domain="coder" rights="read | write" pattern="PDF" /> |
| 384 |
- <policy domain="coder" rights="read | write" pattern="XPS" /> |
| 385 |
- </policymap> |
| 386 |
- EOF |
| 387 |
+ ]> |
| 388 |
+ <policymap> |
| 389 |
+ <policy domain="coder" rights="read | write" pattern="PS" /> |
| 390 |
+ <policy domain="coder" rights="read | write" pattern="PS2" /> |
| 391 |
+ <policy domain="coder" rights="read | write" pattern="PS3" /> |
| 392 |
+ <policy domain="coder" rights="read | write" pattern="EPS" /> |
| 393 |
+ <policy domain="coder" rights="read | write" pattern="PDF" /> |
| 394 |
+ <policy domain="coder" rights="read | write" pattern="XPS" /> |
| 395 |
+ </policymap> |
| 396 |
+ EOF |
| 397 |
+ fi |
| 398 |
} |
| 399 |
|
| 400 |
src_configure() { |
| 401 |
@@ -208,7 +212,7 @@ src_configure() { |
| 402 |
-DGMX_OPENMP=$(usex openmp) |
| 403 |
-DGMX_COOL_QUOTES=$(usex offensive) |
| 404 |
-DGMX_USE_TNG=$(usex tng) |
| 405 |
- -DGMX_BUILD_MANUAL=$(usex doc) |
| 406 |
+ -DGMX_BUILD_MANUAL=$(usex build-manual) |
| 407 |
-DGMX_HWLOC=$(usex hwloc) |
| 408 |
-DGMX_DEFAULT_SUFFIX=off |
| 409 |
-DGMX_SIMD="$acce" |
| 410 |
@@ -282,7 +286,7 @@ src_compile() { |
| 411 |
distutils-r1_src_compile |
| 412 |
fi |
| 413 |
# not 100% necessary for rel ebuilds as available from website |
| 414 |
- if use doc; then |
| 415 |
+ if use build-manual; then |
| 416 |
BUILD_DIR="${WORKDIR}/${P}_${x}"\ |
| 417 |
cmake_src_compile manual |
| 418 |
fi |
| 419 |
@@ -308,9 +312,14 @@ src_install() { |
| 420 |
BUILD_DIR="${WORKDIR}/${P}_${x}" \ |
| 421 |
cmake_src_install python_packaging/install |
| 422 |
fi |
| 423 |
- if use doc; then |
| 424 |
+ if use build-manual; then |
| 425 |
newdoc "${WORKDIR}/${P}_${x}"/docs/manual/gromacs.pdf "${PN}-manual-${PV}.pdf" |
| 426 |
fi |
| 427 |
+ |
| 428 |
+ if use doc; then |
| 429 |
+ newdoc "${DISTDIR}/manual-${PV}.pdf" "${PN}-manual-${PV}.pdf" |
| 430 |
+ fi |
| 431 |
+ |
| 432 |
use mpi || continue |
| 433 |
BUILD_DIR="${WORKDIR}/${P}_${x}_mpi" \ |
| 434 |
cmake_src_install |
| 435 |
|
| 436 |
diff --git a/sci-chemistry/gromacs/gromacs-2020.9999.ebuild b/sci-chemistry/gromacs/gromacs-2020.9999.ebuild |
| 437 |
index 59a15623555..41ac7771497 100644 |
| 438 |
--- a/sci-chemistry/gromacs/gromacs-2020.9999.ebuild |
| 439 |
+++ b/sci-chemistry/gromacs/gromacs-2020.9999.ebuild |
| 440 |
@@ -7,6 +7,7 @@ CMAKE_MAKEFILE_GENERATOR="ninja" |
| 441 |
|
| 442 |
PYTHON_COMPAT=( python3_{7,8,9} ) |
| 443 |
|
| 444 |
+DISTUTILS_USE_SETUPTOOLS=no |
| 445 |
DISTUTILS_SINGLE_IMPL=1 |
| 446 |
|
| 447 |
inherit bash-completion-r1 cmake cuda distutils-r1 flag-o-matic multilib readme.gentoo-r1 toolchain-funcs xdg-utils |
| 448 |
@@ -21,6 +22,7 @@ if [[ ${PV} = *9999* ]]; then |
| 449 |
else |
| 450 |
SRC_URI=" |
| 451 |
http://ftp.gromacs.org/gromacs/${PN}-${PV/_/-}.tar.gz |
| 452 |
+ doc? ( https://ftp.gromacs.org/manual/manual-${PV/_/-}.pdf ) |
| 453 |
test? ( http://ftp.gromacs.org/regressiontests/regressiontests-${PV/_/-}.tar.gz )" |
| 454 |
KEYWORDS="~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos" |
| 455 |
fi |
| 456 |
@@ -35,7 +37,7 @@ HOMEPAGE="http://www.gromacs.org/" |
| 457 |
# base, vmd plugins, fftpack from numpy, blas/lapck from netlib, memtestG80 library, mpi_thread lib |
| 458 |
LICENSE="LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )" |
| 459 |
SLOT="0/${PV}" |
| 460 |
-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}" |
| 461 |
+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 ${ACCE_IUSE}" |
| 462 |
|
| 463 |
CDEPEND=" |
| 464 |
X? ( |
| 465 |
@@ -57,7 +59,7 @@ CDEPEND=" |
| 466 |
" |
| 467 |
BDEPEND="${CDEPEND} |
| 468 |
virtual/pkgconfig |
| 469 |
- doc? ( |
| 470 |
+ build-manual? ( |
| 471 |
app-doc/doxygen |
| 472 |
$(python_gen_cond_dep ' |
| 473 |
dev-python/sphinx[${PYTHON_MULTI_USEDEP}] |
| 474 |
@@ -72,6 +74,7 @@ RDEPEND="${CDEPEND}" |
| 475 |
|
| 476 |
REQUIRED_USE=" |
| 477 |
|| ( single-precision double-precision ) |
| 478 |
+ || ( doc build-manual ) |
| 479 |
cuda? ( single-precision ) |
| 480 |
cuda? ( !opencl ) |
| 481 |
mkl? ( !blas !fftw !lapack ) |
| 482 |
@@ -133,28 +136,29 @@ src_prepare() { |
| 483 |
fi |
| 484 |
|
| 485 |
DOC_CONTENTS="Gromacs can use sci-chemistry/vmd to read additional file formats" |
| 486 |
- |
| 487 |
- # try to create policy for imagemagik |
| 488 |
- mkdir -p ${HOME}/.config/ImageMagick |
| 489 |
- cat >> ${HOME}/.config/ImageMagick/policy.xml <<- EOF |
| 490 |
- <?xml version="1.0" encoding="UTF-8"?> |
| 491 |
- <!DOCTYPE policymap [ |
| 492 |
- <!ELEMENT policymap (policy)+> |
| 493 |
- !ATTLIST policymap xmlns CDATA #FIXED ''> |
| 494 |
- <!ELEMENT policy EMPTY> |
| 495 |
- <!ATTLIST policy xmlns CDATA #FIXED '' domain NMTOKEN #REQUIRED |
| 496 |
+ if use build-manual; then |
| 497 |
+ # try to create policy for imagemagik |
| 498 |
+ mkdir -p ${HOME}/.config/ImageMagick |
| 499 |
+ cat >> ${HOME}/.config/ImageMagick/policy.xml <<- EOF |
| 500 |
+ <?xml version="1.0" encoding="UTF-8"?> |
| 501 |
+ <!DOCTYPE policymap [ |
| 502 |
+ <!ELEMENT policymap (policy)+> |
| 503 |
+ !ATTLIST policymap xmlns CDATA #FIXED ''> |
| 504 |
+ <!ELEMENT policy EMPTY> |
| 505 |
+ <!ATTLIST policy xmlns CDATA #FIXED '' domain NMTOKEN #REQUIRED |
| 506 |
name NMTOKEN #IMPLIED pattern CDATA #IMPLIED rights NMTOKEN #IMPLIED |
| 507 |
stealth NMTOKEN #IMPLIED value CDATA #IMPLIED> |
| 508 |
- ]> |
| 509 |
- <policymap> |
| 510 |
- <policy domain="coder" rights="read | write" pattern="PS" /> |
| 511 |
- <policy domain="coder" rights="read | write" pattern="PS2" /> |
| 512 |
- <policy domain="coder" rights="read | write" pattern="PS3" /> |
| 513 |
- <policy domain="coder" rights="read | write" pattern="EPS" /> |
| 514 |
- <policy domain="coder" rights="read | write" pattern="PDF" /> |
| 515 |
- <policy domain="coder" rights="read | write" pattern="XPS" /> |
| 516 |
- </policymap> |
| 517 |
- EOF |
| 518 |
+ ]> |
| 519 |
+ <policymap> |
| 520 |
+ <policy domain="coder" rights="read | write" pattern="PS" /> |
| 521 |
+ <policy domain="coder" rights="read | write" pattern="PS2" /> |
| 522 |
+ <policy domain="coder" rights="read | write" pattern="PS3" /> |
| 523 |
+ <policy domain="coder" rights="read | write" pattern="EPS" /> |
| 524 |
+ <policy domain="coder" rights="read | write" pattern="PDF" /> |
| 525 |
+ <policy domain="coder" rights="read | write" pattern="XPS" /> |
| 526 |
+ </policymap> |
| 527 |
+ EOF |
| 528 |
+ fi |
| 529 |
} |
| 530 |
|
| 531 |
src_configure() { |
| 532 |
@@ -208,7 +212,7 @@ src_configure() { |
| 533 |
-DGMX_OPENMP=$(usex openmp) |
| 534 |
-DGMX_COOL_QUOTES=$(usex offensive) |
| 535 |
-DGMX_USE_TNG=$(usex tng) |
| 536 |
- -DGMX_BUILD_MANUAL=$(usex doc) |
| 537 |
+ -DGMX_BUILD_MANUAL=$(usex build-manual) |
| 538 |
-DGMX_HWLOC=$(usex hwloc) |
| 539 |
-DGMX_DEFAULT_SUFFIX=off |
| 540 |
-DGMX_SIMD="$acce" |
| 541 |
@@ -282,7 +286,7 @@ src_compile() { |
| 542 |
distutils-r1_src_compile |
| 543 |
fi |
| 544 |
# not 100% necessary for rel ebuilds as available from website |
| 545 |
- if use doc; then |
| 546 |
+ if use build-manual; then |
| 547 |
BUILD_DIR="${WORKDIR}/${P}_${x}"\ |
| 548 |
cmake_src_compile manual |
| 549 |
fi |
| 550 |
@@ -308,9 +312,14 @@ src_install() { |
| 551 |
BUILD_DIR="${WORKDIR}/${P}_${x}" \ |
| 552 |
cmake_src_install python_packaging/install |
| 553 |
fi |
| 554 |
- if use doc; then |
| 555 |
+ if use build-manual; then |
| 556 |
newdoc "${WORKDIR}/${P}_${x}"/docs/manual/gromacs.pdf "${PN}-manual-${PV}.pdf" |
| 557 |
fi |
| 558 |
+ |
| 559 |
+ if use doc; then |
| 560 |
+ newdoc "${DISTDIR}/manual-${PV}.pdf" "${PN}-manual-${PV}.pdf" |
| 561 |
+ fi |
| 562 |
+ |
| 563 |
use mpi || continue |
| 564 |
BUILD_DIR="${WORKDIR}/${P}_${x}_mpi" \ |
| 565 |
cmake_src_install |
| 566 |
|
| 567 |
diff --git a/sci-chemistry/gromacs/gromacs-2021.1.ebuild b/sci-chemistry/gromacs/gromacs-2021.1.ebuild |
| 568 |
index 16a2bffe6a3..e8ea613693f 100644 |
| 569 |
--- a/sci-chemistry/gromacs/gromacs-2021.1.ebuild |
| 570 |
+++ b/sci-chemistry/gromacs/gromacs-2021.1.ebuild |
| 571 |
@@ -7,6 +7,7 @@ CMAKE_MAKEFILE_GENERATOR="ninja" |
| 572 |
|
| 573 |
PYTHON_COMPAT=( python3_{7,8,9} ) |
| 574 |
|
| 575 |
+DISTUTILS_USE_SETUPTOOLS=no |
| 576 |
DISTUTILS_SINGLE_IMPL=1 |
| 577 |
|
| 578 |
inherit bash-completion-r1 cmake cuda distutils-r1 flag-o-matic multilib readme.gentoo-r1 toolchain-funcs xdg-utils |
| 579 |
@@ -21,6 +22,7 @@ if [[ ${PV} = *9999* ]]; then |
| 580 |
else |
| 581 |
SRC_URI=" |
| 582 |
http://ftp.gromacs.org/gromacs/${PN}-${PV/_/-}.tar.gz |
| 583 |
+ doc? ( https://ftp.gromacs.org/manual/manual-${PV/_/-}.pdf ) |
| 584 |
test? ( http://ftp.gromacs.org/regressiontests/regressiontests-${PV/_/-}.tar.gz )" |
| 585 |
KEYWORDS="~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos" |
| 586 |
fi |
| 587 |
@@ -35,7 +37,7 @@ HOMEPAGE="http://www.gromacs.org/" |
| 588 |
# base, vmd plugins, fftpack from numpy, blas/lapck from netlib, memtestG80 library, mpi_thread lib |
| 589 |
LICENSE="LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )" |
| 590 |
SLOT="0/${PV}" |
| 591 |
-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}" |
| 592 |
+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 ${ACCE_IUSE}" |
| 593 |
|
| 594 |
CDEPEND=" |
| 595 |
X? ( |
| 596 |
@@ -57,7 +59,7 @@ CDEPEND=" |
| 597 |
" |
| 598 |
BDEPEND="${CDEPEND} |
| 599 |
virtual/pkgconfig |
| 600 |
- doc? ( |
| 601 |
+ build-manual? ( |
| 602 |
app-doc/doxygen |
| 603 |
$(python_gen_cond_dep ' |
| 604 |
dev-python/sphinx[${PYTHON_MULTI_USEDEP}] |
| 605 |
@@ -72,6 +74,7 @@ RDEPEND="${CDEPEND}" |
| 606 |
|
| 607 |
REQUIRED_USE=" |
| 608 |
|| ( single-precision double-precision ) |
| 609 |
+ || ( doc build-manual ) |
| 610 |
cuda? ( single-precision ) |
| 611 |
cuda? ( !opencl ) |
| 612 |
mkl? ( !blas !fftw !lapack ) |
| 613 |
@@ -136,28 +139,29 @@ src_prepare() { |
| 614 |
fi |
| 615 |
|
| 616 |
DOC_CONTENTS="Gromacs can use sci-chemistry/vmd to read additional file formats" |
| 617 |
- |
| 618 |
- # try to create policy for imagemagik |
| 619 |
- mkdir -p ${HOME}/.config/ImageMagick |
| 620 |
- cat >> ${HOME}/.config/ImageMagick/policy.xml <<- EOF |
| 621 |
- <?xml version="1.0" encoding="UTF-8"?> |
| 622 |
- <!DOCTYPE policymap [ |
| 623 |
- <!ELEMENT policymap (policy)+> |
| 624 |
- !ATTLIST policymap xmlns CDATA #FIXED ''> |
| 625 |
- <!ELEMENT policy EMPTY> |
| 626 |
- <!ATTLIST policy xmlns CDATA #FIXED '' domain NMTOKEN #REQUIRED |
| 627 |
+ if use build-manual; then |
| 628 |
+ # try to create policy for imagemagik |
| 629 |
+ mkdir -p ${HOME}/.config/ImageMagick |
| 630 |
+ cat >> ${HOME}/.config/ImageMagick/policy.xml <<- EOF |
| 631 |
+ <?xml version="1.0" encoding="UTF-8"?> |
| 632 |
+ <!DOCTYPE policymap [ |
| 633 |
+ <!ELEMENT policymap (policy)+> |
| 634 |
+ !ATTLIST policymap xmlns CDATA #FIXED ''> |
| 635 |
+ <!ELEMENT policy EMPTY> |
| 636 |
+ <!ATTLIST policy xmlns CDATA #FIXED '' domain NMTOKEN #REQUIRED |
| 637 |
name NMTOKEN #IMPLIED pattern CDATA #IMPLIED rights NMTOKEN #IMPLIED |
| 638 |
stealth NMTOKEN #IMPLIED value CDATA #IMPLIED> |
| 639 |
- ]> |
| 640 |
- <policymap> |
| 641 |
- <policy domain="coder" rights="read | write" pattern="PS" /> |
| 642 |
- <policy domain="coder" rights="read | write" pattern="PS2" /> |
| 643 |
- <policy domain="coder" rights="read | write" pattern="PS3" /> |
| 644 |
- <policy domain="coder" rights="read | write" pattern="EPS" /> |
| 645 |
- <policy domain="coder" rights="read | write" pattern="PDF" /> |
| 646 |
- <policy domain="coder" rights="read | write" pattern="XPS" /> |
| 647 |
- </policymap> |
| 648 |
- EOF |
| 649 |
+ ]> |
| 650 |
+ <policymap> |
| 651 |
+ <policy domain="coder" rights="read | write" pattern="PS" /> |
| 652 |
+ <policy domain="coder" rights="read | write" pattern="PS2" /> |
| 653 |
+ <policy domain="coder" rights="read | write" pattern="PS3" /> |
| 654 |
+ <policy domain="coder" rights="read | write" pattern="EPS" /> |
| 655 |
+ <policy domain="coder" rights="read | write" pattern="PDF" /> |
| 656 |
+ <policy domain="coder" rights="read | write" pattern="XPS" /> |
| 657 |
+ </policymap> |
| 658 |
+ EOF |
| 659 |
+ fi |
| 660 |
} |
| 661 |
|
| 662 |
src_configure() { |
| 663 |
@@ -218,7 +222,7 @@ src_configure() { |
| 664 |
-DGMX_OPENMP=$(usex openmp) |
| 665 |
-DGMX_COOL_QUOTES=$(usex offensive) |
| 666 |
-DGMX_USE_TNG=$(usex tng) |
| 667 |
- -DGMX_BUILD_MANUAL=$(usex doc) |
| 668 |
+ -DGMX_BUILD_MANUAL=$(usex build-manual) |
| 669 |
-DGMX_HWLOC=$(usex hwloc) |
| 670 |
-DGMX_DEFAULT_SUFFIX=off |
| 671 |
-DGMX_SIMD="$acce" |
| 672 |
@@ -289,7 +293,7 @@ src_compile() { |
| 673 |
distutils-r1_src_compile |
| 674 |
fi |
| 675 |
# not 100% necessary for rel ebuilds as available from website |
| 676 |
- if use doc; then |
| 677 |
+ if use build-manual; then |
| 678 |
BUILD_DIR="${WORKDIR}/${P}_${x}"\ |
| 679 |
cmake_src_compile manual |
| 680 |
fi |
| 681 |
@@ -315,9 +319,14 @@ src_install() { |
| 682 |
BUILD_DIR="${WORKDIR}/${P}_${x}" \ |
| 683 |
cmake_src_install python_packaging/install |
| 684 |
fi |
| 685 |
- if use doc; then |
| 686 |
+ if use build-manual; then |
| 687 |
newdoc "${WORKDIR}/${P}_${x}"/docs/manual/gromacs.pdf "${PN}-manual-${PV}.pdf" |
| 688 |
fi |
| 689 |
+ |
| 690 |
+ if use doc; then |
| 691 |
+ newdoc "${DISTDIR}/manual-${PV}.pdf" "${PN}-manual-${PV}.pdf" |
| 692 |
+ fi |
| 693 |
+ |
| 694 |
use mpi || continue |
| 695 |
BUILD_DIR="${WORKDIR}/${P}_${x}_mpi" \ |
| 696 |
cmake_src_install |
| 697 |
|
| 698 |
diff --git a/sci-chemistry/gromacs/gromacs-2021.2.ebuild b/sci-chemistry/gromacs/gromacs-2021.2.ebuild |
| 699 |
index e8cbb127fef..7b257ee4f40 100644 |
| 700 |
--- a/sci-chemistry/gromacs/gromacs-2021.2.ebuild |
| 701 |
+++ b/sci-chemistry/gromacs/gromacs-2021.2.ebuild |
| 702 |
@@ -7,6 +7,7 @@ CMAKE_MAKEFILE_GENERATOR="ninja" |
| 703 |
|
| 704 |
PYTHON_COMPAT=( python3_{7,8,9} ) |
| 705 |
|
| 706 |
+DISTUTILS_USE_SETUPTOOLS=no |
| 707 |
DISTUTILS_SINGLE_IMPL=1 |
| 708 |
|
| 709 |
inherit bash-completion-r1 cmake cuda distutils-r1 flag-o-matic multilib readme.gentoo-r1 toolchain-funcs xdg-utils |
| 710 |
@@ -21,6 +22,7 @@ if [[ ${PV} = *9999* ]]; then |
| 711 |
else |
| 712 |
SRC_URI=" |
| 713 |
http://ftp.gromacs.org/gromacs/${PN}-${PV/_/-}.tar.gz |
| 714 |
+ doc? ( https://ftp.gromacs.org/manual/manual-${PV/_/-}.pdf ) |
| 715 |
test? ( http://ftp.gromacs.org/regressiontests/regressiontests-${PV/_/-}.tar.gz )" |
| 716 |
KEYWORDS="~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos" |
| 717 |
fi |
| 718 |
@@ -35,7 +37,7 @@ HOMEPAGE="http://www.gromacs.org/" |
| 719 |
# base, vmd plugins, fftpack from numpy, blas/lapck from netlib, memtestG80 library, mpi_thread lib |
| 720 |
LICENSE="LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )" |
| 721 |
SLOT="0/${PV}" |
| 722 |
-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}" |
| 723 |
+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 ${ACCE_IUSE}" |
| 724 |
|
| 725 |
CDEPEND=" |
| 726 |
X? ( |
| 727 |
@@ -57,7 +59,7 @@ CDEPEND=" |
| 728 |
" |
| 729 |
BDEPEND="${CDEPEND} |
| 730 |
virtual/pkgconfig |
| 731 |
- doc? ( |
| 732 |
+ build-manual? ( |
| 733 |
app-doc/doxygen |
| 734 |
$(python_gen_cond_dep ' |
| 735 |
dev-python/sphinx[${PYTHON_MULTI_USEDEP}] |
| 736 |
@@ -72,6 +74,7 @@ RDEPEND="${CDEPEND}" |
| 737 |
|
| 738 |
REQUIRED_USE=" |
| 739 |
|| ( single-precision double-precision ) |
| 740 |
+ || ( doc build-manual ) |
| 741 |
cuda? ( single-precision ) |
| 742 |
cuda? ( !opencl ) |
| 743 |
mkl? ( !blas !fftw !lapack ) |
| 744 |
@@ -136,28 +139,29 @@ src_prepare() { |
| 745 |
fi |
| 746 |
|
| 747 |
DOC_CONTENTS="Gromacs can use sci-chemistry/vmd to read additional file formats" |
| 748 |
- |
| 749 |
- # try to create policy for imagemagik |
| 750 |
- mkdir -p ${HOME}/.config/ImageMagick |
| 751 |
- cat >> ${HOME}/.config/ImageMagick/policy.xml <<- EOF |
| 752 |
- <?xml version="1.0" encoding="UTF-8"?> |
| 753 |
- <!DOCTYPE policymap [ |
| 754 |
- <!ELEMENT policymap (policy)+> |
| 755 |
- !ATTLIST policymap xmlns CDATA #FIXED ''> |
| 756 |
- <!ELEMENT policy EMPTY> |
| 757 |
- <!ATTLIST policy xmlns CDATA #FIXED '' domain NMTOKEN #REQUIRED |
| 758 |
+ if use build-manual; then |
| 759 |
+ # try to create policy for imagemagik |
| 760 |
+ mkdir -p ${HOME}/.config/ImageMagick |
| 761 |
+ cat >> ${HOME}/.config/ImageMagick/policy.xml <<- EOF |
| 762 |
+ <?xml version="1.0" encoding="UTF-8"?> |
| 763 |
+ <!DOCTYPE policymap [ |
| 764 |
+ <!ELEMENT policymap (policy)+> |
| 765 |
+ !ATTLIST policymap xmlns CDATA #FIXED ''> |
| 766 |
+ <!ELEMENT policy EMPTY> |
| 767 |
+ <!ATTLIST policy xmlns CDATA #FIXED '' domain NMTOKEN #REQUIRED |
| 768 |
name NMTOKEN #IMPLIED pattern CDATA #IMPLIED rights NMTOKEN #IMPLIED |
| 769 |
stealth NMTOKEN #IMPLIED value CDATA #IMPLIED> |
| 770 |
- ]> |
| 771 |
- <policymap> |
| 772 |
- <policy domain="coder" rights="read | write" pattern="PS" /> |
| 773 |
- <policy domain="coder" rights="read | write" pattern="PS2" /> |
| 774 |
- <policy domain="coder" rights="read | write" pattern="PS3" /> |
| 775 |
- <policy domain="coder" rights="read | write" pattern="EPS" /> |
| 776 |
- <policy domain="coder" rights="read | write" pattern="PDF" /> |
| 777 |
- <policy domain="coder" rights="read | write" pattern="XPS" /> |
| 778 |
- </policymap> |
| 779 |
- EOF |
| 780 |
+ ]> |
| 781 |
+ <policymap> |
| 782 |
+ <policy domain="coder" rights="read | write" pattern="PS" /> |
| 783 |
+ <policy domain="coder" rights="read | write" pattern="PS2" /> |
| 784 |
+ <policy domain="coder" rights="read | write" pattern="PS3" /> |
| 785 |
+ <policy domain="coder" rights="read | write" pattern="EPS" /> |
| 786 |
+ <policy domain="coder" rights="read | write" pattern="PDF" /> |
| 787 |
+ <policy domain="coder" rights="read | write" pattern="XPS" /> |
| 788 |
+ </policymap> |
| 789 |
+ EOF |
| 790 |
+ fi |
| 791 |
} |
| 792 |
|
| 793 |
src_configure() { |
| 794 |
@@ -218,7 +222,7 @@ src_configure() { |
| 795 |
-DGMX_OPENMP=$(usex openmp) |
| 796 |
-DGMX_COOL_QUOTES=$(usex offensive) |
| 797 |
-DGMX_USE_TNG=$(usex tng) |
| 798 |
- -DGMX_BUILD_MANUAL=$(usex doc) |
| 799 |
+ -DGMX_BUILD_MANUAL=$(usex build-manual) |
| 800 |
-DGMX_HWLOC=$(usex hwloc) |
| 801 |
-DGMX_DEFAULT_SUFFIX=off |
| 802 |
-DGMX_SIMD="$acce" |
| 803 |
@@ -289,7 +293,7 @@ src_compile() { |
| 804 |
distutils-r1_src_compile |
| 805 |
fi |
| 806 |
# not 100% necessary for rel ebuilds as available from website |
| 807 |
- if use doc; then |
| 808 |
+ if use build-manual; then |
| 809 |
BUILD_DIR="${WORKDIR}/${P}_${x}"\ |
| 810 |
cmake_src_compile manual |
| 811 |
fi |
| 812 |
@@ -315,9 +319,14 @@ src_install() { |
| 813 |
BUILD_DIR="${WORKDIR}/${P}_${x}" \ |
| 814 |
cmake_src_install python_packaging/install |
| 815 |
fi |
| 816 |
- if use doc; then |
| 817 |
+ if use build-manual; then |
| 818 |
newdoc "${WORKDIR}/${P}_${x}"/docs/manual/gromacs.pdf "${PN}-manual-${PV}.pdf" |
| 819 |
fi |
| 820 |
+ |
| 821 |
+ if use doc; then |
| 822 |
+ newdoc "${DISTDIR}/manual-${PV}.pdf" "${PN}-manual-${PV}.pdf" |
| 823 |
+ fi |
| 824 |
+ |
| 825 |
use mpi || continue |
| 826 |
BUILD_DIR="${WORKDIR}/${P}_${x}_mpi" \ |
| 827 |
cmake_src_install |
| 828 |
|
| 829 |
diff --git a/sci-chemistry/gromacs/gromacs-2021.9999.ebuild b/sci-chemistry/gromacs/gromacs-2021.9999.ebuild |
| 830 |
index 19c3097b599..16825937690 100644 |
| 831 |
--- a/sci-chemistry/gromacs/gromacs-2021.9999.ebuild |
| 832 |
+++ b/sci-chemistry/gromacs/gromacs-2021.9999.ebuild |
| 833 |
@@ -7,6 +7,7 @@ CMAKE_MAKEFILE_GENERATOR="ninja" |
| 834 |
|
| 835 |
PYTHON_COMPAT=( python3_{7,8,9} ) |
| 836 |
|
| 837 |
+DISTUTILS_USE_SETUPTOOLS=no |
| 838 |
DISTUTILS_SINGLE_IMPL=1 |
| 839 |
|
| 840 |
inherit bash-completion-r1 cmake cuda distutils-r1 flag-o-matic multilib readme.gentoo-r1 toolchain-funcs xdg-utils |
| 841 |
@@ -21,6 +22,7 @@ if [[ ${PV} = *9999* ]]; then |
| 842 |
else |
| 843 |
SRC_URI=" |
| 844 |
http://ftp.gromacs.org/gromacs/${PN}-${PV/_/-}.tar.gz |
| 845 |
+ doc? ( https://ftp.gromacs.org/manual/manual-${PV/_/-}.pdf ) |
| 846 |
test? ( http://ftp.gromacs.org/regressiontests/regressiontests-${PV/_/-}.tar.gz )" |
| 847 |
KEYWORDS="~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos" |
| 848 |
fi |
| 849 |
@@ -35,7 +37,7 @@ HOMEPAGE="http://www.gromacs.org/" |
| 850 |
# base, vmd plugins, fftpack from numpy, blas/lapck from netlib, memtestG80 library, mpi_thread lib |
| 851 |
LICENSE="LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )" |
| 852 |
SLOT="0/${PV}" |
| 853 |
-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}" |
| 854 |
+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 ${ACCE_IUSE}" |
| 855 |
|
| 856 |
CDEPEND=" |
| 857 |
X? ( |
| 858 |
@@ -57,7 +59,7 @@ CDEPEND=" |
| 859 |
" |
| 860 |
BDEPEND="${CDEPEND} |
| 861 |
virtual/pkgconfig |
| 862 |
- doc? ( |
| 863 |
+ build-manual? ( |
| 864 |
app-doc/doxygen |
| 865 |
$(python_gen_cond_dep ' |
| 866 |
dev-python/sphinx[${PYTHON_MULTI_USEDEP}] |
| 867 |
@@ -72,6 +74,7 @@ RDEPEND="${CDEPEND}" |
| 868 |
|
| 869 |
REQUIRED_USE=" |
| 870 |
|| ( single-precision double-precision ) |
| 871 |
+ || ( doc build-manual ) |
| 872 |
cuda? ( single-precision ) |
| 873 |
cuda? ( !opencl ) |
| 874 |
mkl? ( !blas !fftw !lapack ) |
| 875 |
@@ -131,28 +134,29 @@ src_prepare() { |
| 876 |
fi |
| 877 |
|
| 878 |
DOC_CONTENTS="Gromacs can use sci-chemistry/vmd to read additional file formats" |
| 879 |
- |
| 880 |
- # try to create policy for imagemagik |
| 881 |
- mkdir -p ${HOME}/.config/ImageMagick |
| 882 |
- cat >> ${HOME}/.config/ImageMagick/policy.xml <<- EOF |
| 883 |
- <?xml version="1.0" encoding="UTF-8"?> |
| 884 |
- <!DOCTYPE policymap [ |
| 885 |
- <!ELEMENT policymap (policy)+> |
| 886 |
- !ATTLIST policymap xmlns CDATA #FIXED ''> |
| 887 |
- <!ELEMENT policy EMPTY> |
| 888 |
- <!ATTLIST policy xmlns CDATA #FIXED '' domain NMTOKEN #REQUIRED |
| 889 |
+ if use build-manual; then |
| 890 |
+ # try to create policy for imagemagik |
| 891 |
+ mkdir -p ${HOME}/.config/ImageMagick |
| 892 |
+ cat >> ${HOME}/.config/ImageMagick/policy.xml <<- EOF |
| 893 |
+ <?xml version="1.0" encoding="UTF-8"?> |
| 894 |
+ <!DOCTYPE policymap [ |
| 895 |
+ <!ELEMENT policymap (policy)+> |
| 896 |
+ !ATTLIST policymap xmlns CDATA #FIXED ''> |
| 897 |
+ <!ELEMENT policy EMPTY> |
| 898 |
+ <!ATTLIST policy xmlns CDATA #FIXED '' domain NMTOKEN #REQUIRED |
| 899 |
name NMTOKEN #IMPLIED pattern CDATA #IMPLIED rights NMTOKEN #IMPLIED |
| 900 |
stealth NMTOKEN #IMPLIED value CDATA #IMPLIED> |
| 901 |
- ]> |
| 902 |
- <policymap> |
| 903 |
- <policy domain="coder" rights="read | write" pattern="PS" /> |
| 904 |
- <policy domain="coder" rights="read | write" pattern="PS2" /> |
| 905 |
- <policy domain="coder" rights="read | write" pattern="PS3" /> |
| 906 |
- <policy domain="coder" rights="read | write" pattern="EPS" /> |
| 907 |
- <policy domain="coder" rights="read | write" pattern="PDF" /> |
| 908 |
- <policy domain="coder" rights="read | write" pattern="XPS" /> |
| 909 |
- </policymap> |
| 910 |
- EOF |
| 911 |
+ ]> |
| 912 |
+ <policymap> |
| 913 |
+ <policy domain="coder" rights="read | write" pattern="PS" /> |
| 914 |
+ <policy domain="coder" rights="read | write" pattern="PS2" /> |
| 915 |
+ <policy domain="coder" rights="read | write" pattern="PS3" /> |
| 916 |
+ <policy domain="coder" rights="read | write" pattern="EPS" /> |
| 917 |
+ <policy domain="coder" rights="read | write" pattern="PDF" /> |
| 918 |
+ <policy domain="coder" rights="read | write" pattern="XPS" /> |
| 919 |
+ </policymap> |
| 920 |
+ EOF |
| 921 |
+ fi |
| 922 |
} |
| 923 |
|
| 924 |
src_configure() { |
| 925 |
@@ -213,7 +217,7 @@ src_configure() { |
| 926 |
-DGMX_OPENMP=$(usex openmp) |
| 927 |
-DGMX_COOL_QUOTES=$(usex offensive) |
| 928 |
-DGMX_USE_TNG=$(usex tng) |
| 929 |
- -DGMX_BUILD_MANUAL=$(usex doc) |
| 930 |
+ -DGMX_BUILD_MANUAL=$(usex build-manual) |
| 931 |
-DGMX_HWLOC=$(usex hwloc) |
| 932 |
-DGMX_DEFAULT_SUFFIX=off |
| 933 |
-DGMX_SIMD="$acce" |
| 934 |
@@ -284,7 +288,7 @@ src_compile() { |
| 935 |
distutils-r1_src_compile |
| 936 |
fi |
| 937 |
# not 100% necessary for rel ebuilds as available from website |
| 938 |
- if use doc; then |
| 939 |
+ if use build-manual; then |
| 940 |
BUILD_DIR="${WORKDIR}/${P}_${x}"\ |
| 941 |
cmake_src_compile manual |
| 942 |
fi |
| 943 |
@@ -310,9 +314,14 @@ src_install() { |
| 944 |
BUILD_DIR="${WORKDIR}/${P}_${x}" \ |
| 945 |
cmake_src_install python_packaging/install |
| 946 |
fi |
| 947 |
- if use doc; then |
| 948 |
+ if use build-manual; then |
| 949 |
newdoc "${WORKDIR}/${P}_${x}"/docs/manual/gromacs.pdf "${PN}-manual-${PV}.pdf" |
| 950 |
fi |
| 951 |
+ |
| 952 |
+ if use doc; then |
| 953 |
+ newdoc "${DISTDIR}/manual-${PV}.pdf" "${PN}-manual-${PV}.pdf" |
| 954 |
+ fi |
| 955 |
+ |
| 956 |
use mpi || continue |
| 957 |
BUILD_DIR="${WORKDIR}/${P}_${x}_mpi" \ |
| 958 |
cmake_src_install |
| 959 |
|
| 960 |
diff --git a/sci-chemistry/gromacs/gromacs-2021.ebuild b/sci-chemistry/gromacs/gromacs-2021.ebuild |
| 961 |
index ea5d7cd93dc..a4fdab0dfaf 100644 |
| 962 |
--- a/sci-chemistry/gromacs/gromacs-2021.ebuild |
| 963 |
+++ b/sci-chemistry/gromacs/gromacs-2021.ebuild |
| 964 |
@@ -7,6 +7,7 @@ CMAKE_MAKEFILE_GENERATOR="ninja" |
| 965 |
|
| 966 |
PYTHON_COMPAT=( python3_{7,8,9} ) |
| 967 |
|
| 968 |
+DISTUTILS_USE_SETUPTOOLS=no |
| 969 |
DISTUTILS_SINGLE_IMPL=1 |
| 970 |
|
| 971 |
inherit bash-completion-r1 cmake cuda distutils-r1 flag-o-matic multilib readme.gentoo-r1 toolchain-funcs xdg-utils |
| 972 |
@@ -21,6 +22,7 @@ if [[ ${PV} = *9999* ]]; then |
| 973 |
else |
| 974 |
SRC_URI=" |
| 975 |
http://ftp.gromacs.org/gromacs/${PN}-${PV/_/-}.tar.gz |
| 976 |
+ doc? ( https://ftp.gromacs.org/manual/manual-${PV/_/-}.pdf ) |
| 977 |
test? ( http://ftp.gromacs.org/regressiontests/regressiontests-${PV/_/-}.tar.gz )" |
| 978 |
KEYWORDS="~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos" |
| 979 |
fi |
| 980 |
@@ -35,7 +37,7 @@ HOMEPAGE="http://www.gromacs.org/" |
| 981 |
# base, vmd plugins, fftpack from numpy, blas/lapck from netlib, memtestG80 library, mpi_thread lib |
| 982 |
LICENSE="LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )" |
| 983 |
SLOT="0/${PV}" |
| 984 |
-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}" |
| 985 |
+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 ${ACCE_IUSE}" |
| 986 |
|
| 987 |
CDEPEND=" |
| 988 |
X? ( |
| 989 |
@@ -57,7 +59,7 @@ CDEPEND=" |
| 990 |
" |
| 991 |
BDEPEND="${CDEPEND} |
| 992 |
virtual/pkgconfig |
| 993 |
- doc? ( |
| 994 |
+ build-manual? ( |
| 995 |
app-doc/doxygen |
| 996 |
$(python_gen_cond_dep ' |
| 997 |
dev-python/sphinx[${PYTHON_MULTI_USEDEP}] |
| 998 |
@@ -72,6 +74,7 @@ RDEPEND="${CDEPEND}" |
| 999 |
|
| 1000 |
REQUIRED_USE=" |
| 1001 |
|| ( single-precision double-precision ) |
| 1002 |
+ || ( doc build-manual ) |
| 1003 |
cuda? ( single-precision ) |
| 1004 |
cuda? ( !opencl ) |
| 1005 |
mkl? ( !blas !fftw !lapack ) |
| 1006 |
@@ -133,28 +136,29 @@ src_prepare() { |
| 1007 |
fi |
| 1008 |
|
| 1009 |
DOC_CONTENTS="Gromacs can use sci-chemistry/vmd to read additional file formats" |
| 1010 |
- |
| 1011 |
- # try to create policy for imagemagik |
| 1012 |
- mkdir -p ${HOME}/.config/ImageMagick |
| 1013 |
- cat >> ${HOME}/.config/ImageMagick/policy.xml <<- EOF |
| 1014 |
- <?xml version="1.0" encoding="UTF-8"?> |
| 1015 |
- <!DOCTYPE policymap [ |
| 1016 |
- <!ELEMENT policymap (policy)+> |
| 1017 |
- !ATTLIST policymap xmlns CDATA #FIXED ''> |
| 1018 |
- <!ELEMENT policy EMPTY> |
| 1019 |
- <!ATTLIST policy xmlns CDATA #FIXED '' domain NMTOKEN #REQUIRED |
| 1020 |
+ if use build-manual; then |
| 1021 |
+ # try to create policy for imagemagik |
| 1022 |
+ mkdir -p ${HOME}/.config/ImageMagick |
| 1023 |
+ cat >> ${HOME}/.config/ImageMagick/policy.xml <<- EOF |
| 1024 |
+ <?xml version="1.0" encoding="UTF-8"?> |
| 1025 |
+ <!DOCTYPE policymap [ |
| 1026 |
+ <!ELEMENT policymap (policy)+> |
| 1027 |
+ !ATTLIST policymap xmlns CDATA #FIXED ''> |
| 1028 |
+ <!ELEMENT policy EMPTY> |
| 1029 |
+ <!ATTLIST policy xmlns CDATA #FIXED '' domain NMTOKEN #REQUIRED |
| 1030 |
name NMTOKEN #IMPLIED pattern CDATA #IMPLIED rights NMTOKEN #IMPLIED |
| 1031 |
stealth NMTOKEN #IMPLIED value CDATA #IMPLIED> |
| 1032 |
- ]> |
| 1033 |
- <policymap> |
| 1034 |
- <policy domain="coder" rights="read | write" pattern="PS" /> |
| 1035 |
- <policy domain="coder" rights="read | write" pattern="PS2" /> |
| 1036 |
- <policy domain="coder" rights="read | write" pattern="PS3" /> |
| 1037 |
- <policy domain="coder" rights="read | write" pattern="EPS" /> |
| 1038 |
- <policy domain="coder" rights="read | write" pattern="PDF" /> |
| 1039 |
- <policy domain="coder" rights="read | write" pattern="XPS" /> |
| 1040 |
- </policymap> |
| 1041 |
- EOF |
| 1042 |
+ ]> |
| 1043 |
+ <policymap> |
| 1044 |
+ <policy domain="coder" rights="read | write" pattern="PS" /> |
| 1045 |
+ <policy domain="coder" rights="read | write" pattern="PS2" /> |
| 1046 |
+ <policy domain="coder" rights="read | write" pattern="PS3" /> |
| 1047 |
+ <policy domain="coder" rights="read | write" pattern="EPS" /> |
| 1048 |
+ <policy domain="coder" rights="read | write" pattern="PDF" /> |
| 1049 |
+ <policy domain="coder" rights="read | write" pattern="XPS" /> |
| 1050 |
+ </policymap> |
| 1051 |
+ EOF |
| 1052 |
+ fi |
| 1053 |
} |
| 1054 |
|
| 1055 |
src_configure() { |
| 1056 |
@@ -215,7 +219,7 @@ src_configure() { |
| 1057 |
-DGMX_OPENMP=$(usex openmp) |
| 1058 |
-DGMX_COOL_QUOTES=$(usex offensive) |
| 1059 |
-DGMX_USE_TNG=$(usex tng) |
| 1060 |
- -DGMX_BUILD_MANUAL=$(usex doc) |
| 1061 |
+ -DGMX_BUILD_MANUAL=$(usex build-manual) |
| 1062 |
-DGMX_HWLOC=$(usex hwloc) |
| 1063 |
-DGMX_DEFAULT_SUFFIX=off |
| 1064 |
-DGMX_SIMD="$acce" |
| 1065 |
@@ -286,7 +290,7 @@ src_compile() { |
| 1066 |
distutils-r1_src_compile |
| 1067 |
fi |
| 1068 |
# not 100% necessary for rel ebuilds as available from website |
| 1069 |
- if use doc; then |
| 1070 |
+ if use build-manual; then |
| 1071 |
BUILD_DIR="${WORKDIR}/${P}_${x}"\ |
| 1072 |
cmake_src_compile manual |
| 1073 |
fi |
| 1074 |
@@ -312,9 +316,14 @@ src_install() { |
| 1075 |
BUILD_DIR="${WORKDIR}/${P}_${x}" \ |
| 1076 |
cmake_src_install python_packaging/install |
| 1077 |
fi |
| 1078 |
- if use doc; then |
| 1079 |
+ if use build-manual; then |
| 1080 |
newdoc "${WORKDIR}/${P}_${x}"/docs/manual/gromacs.pdf "${PN}-manual-${PV}.pdf" |
| 1081 |
fi |
| 1082 |
+ |
| 1083 |
+ if use doc; then |
| 1084 |
+ newdoc "${DISTDIR}/manual-${PV}.pdf" "${PN}-manual-${PV}.pdf" |
| 1085 |
+ fi |
| 1086 |
+ |
| 1087 |
use mpi || continue |
| 1088 |
BUILD_DIR="${WORKDIR}/${P}_${x}_mpi" \ |
| 1089 |
cmake_src_install |
| 1090 |
|
| 1091 |
diff --git a/sci-chemistry/gromacs/metadata.xml b/sci-chemistry/gromacs/metadata.xml |
| 1092 |
index 4235f32ded6..44134f44362 100644 |
| 1093 |
--- a/sci-chemistry/gromacs/metadata.xml |
| 1094 |
+++ b/sci-chemistry/gromacs/metadata.xml |
| 1095 |
@@ -10,6 +10,7 @@ |
| 1096 |
<name>Gentoo Chemistry Project</name> |
| 1097 |
</maintainer> |
| 1098 |
<use> |
| 1099 |
+ <flag name="build-manual">Build manual instead of downloading it</flag> |
| 1100 |
<flag name="cuda">Enable cuda non-bonded kernels</flag> |
| 1101 |
<flag name="double-precision">More precise calculations at the expense of speed</flag> |
| 1102 |
<flag name="gmxapi">Add support for gmxapi library</flag> |
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