| 1 |
commit: faf263296538448e8f5ad692baedd5b3755b0eec |
| 2 |
Author: Christoph Junghans <junghans <AT> gentoo <DOT> org> |
| 3 |
AuthorDate: Tue Feb 7 20:06:36 2017 +0000 |
| 4 |
Commit: Christoph Junghans <junghans <AT> gentoo <DOT> org> |
| 5 |
CommitDate: Tue Feb 7 20:06:59 2017 +0000 |
| 6 |
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=faf26329 |
| 7 |
|
| 8 |
sci-chemistry/gromacs: version bump |
| 9 |
|
| 10 |
Package-Manager: Portage-2.3.3, Repoman-2.3.1 |
| 11 |
|
| 12 |
sci-chemistry/gromacs/Manifest | 2 + |
| 13 |
sci-chemistry/gromacs/gromacs-2016.2.ebuild | 277 ++++++++++++++++++++++++++++ |
| 14 |
2 files changed, 279 insertions(+) |
| 15 |
|
| 16 |
diff --git a/sci-chemistry/gromacs/Manifest b/sci-chemistry/gromacs/Manifest |
| 17 |
index 50b7ebe..701a17f 100644 |
| 18 |
--- a/sci-chemistry/gromacs/Manifest |
| 19 |
+++ b/sci-chemistry/gromacs/Manifest |
| 20 |
@@ -1,8 +1,10 @@ |
| 21 |
DIST gromacs-2016.1.tar.gz 27336258 SHA256 9e7d2892a903777b982bc9ab4306de969d92cb45b51a562f523ec5fe58db41e3 SHA512 d30a4ad5faa6e12c95b8e94acaabc387d9aab3780490f5442c48ccac2f86bef6dca60df5bb6097dbc68ab28e6f1a15e234e1244606afdf12a841b88ece65c97b WHIRLPOOL 4be9c84d99286889dda23d9f1e2dd7b2d87a70740fb686bd58e59155771e897471d0920b02c5ec529a01a4b01428ebb2ca5b27e4d8df9034d2d3b33c5ab1a1ca |
| 22 |
+DIST gromacs-2016.2.tar.gz 27339623 SHA256 b6ac3632b848ab0c19f8f319dd5b58fcd09b8e2005ee7509478606613e5409a5 SHA512 f5e74bb8c126823c90d205ac0f0835e61fdd13a4550bc15aa9c972ee9b187f6451cdc90877c17276d2f889d61abb5eaa5ea1b54f7cbf3da67074146c749c1aa6 WHIRLPOOL 698c4d4e67266483be4f1047eb947b243b5c8caa3c5e30bdab6b5f0dd302bb51ac5aa6e3a3357beab567cf71c1b8ecc1f9684a89754d18f963dd6f5fc90a33f4 |
| 23 |
DIST gromacs-2016.tar.gz 27321561 SHA256 aa0a27cd13050a4b70aacfbd169ddce2fe507c7e668f460ecf6cf32afcac5771 SHA512 756771baaa85a1d16e7d5b8e4c96bbd1c04c7acdc536a253886cff186316330f06d60d206a0159efb15f47f161c779d3757dc5dbceab8c097241c1382d376201 WHIRLPOOL 1cc3d3797e1aaf93e1e0cb2e71173896e33fee2bb03f4e97e06be3ab85842e6da3feaf8701425358f1d701e00159ff6ce3b24fa1488d5e8ef70a1acbb914361c |
| 24 |
DIST gromacs-5.0.4.tar.gz 26342095 SHA256 78068eeccc0b950018ddb45c41280e53c8bedae4639dca48e17c940f8896b23b SHA512 bc62b623bf71dcaa948aaf7563a3d3afa973da0702062848a20323db202e862dcee413197dacd1472866ccb40fce7709e283177b1c6c49514064f23e6c46b5ee WHIRLPOOL d8458d3d563e015e830622ae0c924e896765a6329ffe4cb1a31c7aef3c804f392d29e3f1db5617051e85058403422f7d69a160a6c7cc810564696d88f9d50bd4 |
| 25 |
DIST gromacs-5.1.3.tar.gz 27095702 SHA256 c962d9446939a9ba9905e7ca440c9306fd310f08600da3b744806bfd0eacccde SHA512 9ab26e1b2268f8d567b89b2d99d0b75b937b28edceaec56d17ca3243c76faa31255ffc0c45d762c7c693fe500b00e36ad43b80572d1d7f92dc87f9d2d98c0ba6 WHIRLPOOL bdd9c63ceb5e61963c4edd0af815cc34a3f237d8dee410c834b9b55bb82374de65b437828390a668282e50428b9907b887cd5265caf2a2007fc7673e7ab23733 |
| 26 |
DIST regressiontests-2016.1.tar.gz 67094518 SHA256 10c9f50ff3cb32cf629aa35e35d957965dcfce4af84a6569e6d65a16c4e09eb7 SHA512 fc01c802d81400373a147171881f3b7b9309402e8ffb08287ba393aefbb701ba93bbe0b9549ff6fa264a8befbba445c2d2c7450633063a724f78ec8ca81ae8c9 WHIRLPOOL e8c54164558fcbaa1e65e9280e438882c96bbbaa6c9389a2ee5aed37d70b83b6b36e95dd5141b4e64b303e3799411ee01cf04aa919f25014d172011e49714126 |
| 27 |
+DIST regressiontests-2016.2.tar.gz 67095329 SHA256 53fa9ad062cc3e269fc6186db1ccbb64a93d36c2fa1cafd6433564ba2583c112 SHA512 e0aceb56d1f38a7e6ab9fdaac5063fd20c5b3a162ffb6eddd0e6dc7dff9b724bfe31363493a9437e9f9d5421a534b375960fcb31e903a4901a0fa94ed8511294 WHIRLPOOL 408741abf781ecf880f8f1337590ed81196cabcf25a49d2cd97bbe0596c8495ea866d6aa64a944c6ee0eb209110883dff204f0f52f6aa6e6dd52f50bcbbade66 |
| 28 |
DIST regressiontests-2016.tar.gz 66908712 SHA256 30a72362f011fd9e3a8d33004018126f938536c13fcb70f590afc74beaec5406 SHA512 59902c1973c33ea8f003f21a737dc7cc64da3258112322eedc9834b53628134a6817d5ee5b3950c9bfd97a3a0580aef88ddef0609ef2c58693c96c7575651e01 WHIRLPOOL 9d210aed00ddfa57df47733169997ef04dec84c524eb5a9c5c6dd9b05ad9ec2d7f3c8a5a43f2ade9be166d80f35a260c04b1a48ac092f5969a213475bb63ae20 |
| 29 |
DIST regressiontests-5.0.4.tar.gz 65193251 SHA256 89ad9bc067035ac8f340319b538c446983d937b910067e871911d7afe2ecb3f0 SHA512 747725fa28c1c9525596bdeeb8809e45268e19036c11dac67d043aa1c51748688ca37eb6014eb7e819eb927a8b9ca2631d0ace4cdff8ed491b08c316c530ab65 WHIRLPOOL e15ccab0a0beefac41aeff11e2e596e971167f1590eed159ff82c4a8e3aec1d234287be597026951904ecfe6099f30ef3bcd48f2098b9f5201bde62e15fbc4f9 |
| 30 |
DIST regressiontests-5.1.3.tar.gz 66994083 SHA256 fd5797dcfd29f7ae70857a438dcd4200a8006fce222f297892c8e90123993ebc SHA512 486e86eb3b75bae822abe82dac4e1098aa13723bd04214021f835a2f0b847303f015a9ececc33aa5ae63d31a2eeae07e512f22464b6c0e26d1286b0781578022 WHIRLPOOL 6ddb76859ee8fa3aba4d995e397970e6fd270acbdd6cc07ab77de0aebb0bfdbd2bd1107ae39d4410e750641047ae4b75c703eafad95a57ff42deb3bf1c742d08 |
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|
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diff --git a/sci-chemistry/gromacs/gromacs-2016.2.ebuild b/sci-chemistry/gromacs/gromacs-2016.2.ebuild |
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new file mode 100644 |
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index 00000000..bda0e82 |
| 35 |
--- /dev/null |
| 36 |
+++ b/sci-chemistry/gromacs/gromacs-2016.2.ebuild |
| 37 |
@@ -0,0 +1,277 @@ |
| 38 |
+# Copyright 1999-2017 Gentoo Foundation |
| 39 |
+# Distributed under the terms of the GNU General Public License v2 |
| 40 |
+# $Id$ |
| 41 |
+ |
| 42 |
+EAPI=6 |
| 43 |
+ |
| 44 |
+CMAKE_MAKEFILE_GENERATOR="ninja" |
| 45 |
+ |
| 46 |
+inherit bash-completion-r1 cmake-utils cuda eutils multilib readme.gentoo-r1 toolchain-funcs xdg-utils |
| 47 |
+ |
| 48 |
+if [[ $PV = *9999* ]]; then |
| 49 |
+ EGIT_REPO_URI="git://git.gromacs.org/gromacs.git |
| 50 |
+ https://gerrit.gromacs.org/gromacs.git |
| 51 |
+ git://github.com/gromacs/gromacs.git |
| 52 |
+ http://repo.or.cz/r/gromacs.git" |
| 53 |
+ [[ $PV = 9999 ]] && EGIT_BRANCH="master" || EGIT_BRANCH="release-${PV:0:4}" |
| 54 |
+ inherit git-r3 |
| 55 |
+ KEYWORDS="" |
| 56 |
+else |
| 57 |
+ SRC_URI="ftp://ftp.gromacs.org/pub/${PN}/${PN}-${PV/_/-}.tar.gz |
| 58 |
+ test? ( http://gerrit.gromacs.org/download/regressiontests-${PV/_/-}.tar.gz )" |
| 59 |
+ KEYWORDS="~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-macos" |
| 60 |
+fi |
| 61 |
+ |
| 62 |
+ACCE_IUSE="cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2" |
| 63 |
+ |
| 64 |
+DESCRIPTION="The ultimate molecular dynamics simulation package" |
| 65 |
+HOMEPAGE="http://www.gromacs.org/" |
| 66 |
+ |
| 67 |
+# see COPYING for details |
| 68 |
+# http://repo.or.cz/w/gromacs.git/blob/HEAD:/COPYING |
| 69 |
+# base, vmd plugins, fftpack from numpy, blas/lapck from netlib, memtestG80 library, mpi_thread lib |
| 70 |
+LICENSE="LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )" |
| 71 |
+SLOT="0/${PV}" |
| 72 |
+IUSE="X blas cuda +doc -double-precision +fftw +hwloc lapack mkl mpi +offensive openmp +single-precision test +threads +tng ${ACCE_IUSE}" |
| 73 |
+ |
| 74 |
+CDEPEND=" |
| 75 |
+ X? ( |
| 76 |
+ x11-libs/libX11 |
| 77 |
+ x11-libs/libSM |
| 78 |
+ x11-libs/libICE |
| 79 |
+ ) |
| 80 |
+ blas? ( virtual/blas ) |
| 81 |
+ cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 ) |
| 82 |
+ fftw? ( sci-libs/fftw:3.0 ) |
| 83 |
+ hwloc? ( sys-apps/hwloc ) |
| 84 |
+ lapack? ( virtual/lapack ) |
| 85 |
+ mkl? ( sci-libs/mkl ) |
| 86 |
+ mpi? ( virtual/mpi ) |
| 87 |
+ " |
| 88 |
+DEPEND="${CDEPEND} |
| 89 |
+ virtual/pkgconfig |
| 90 |
+ doc? ( |
| 91 |
+ app-doc/doxygen |
| 92 |
+ dev-texlive/texlive-latex |
| 93 |
+ dev-texlive/texlive-latexextra |
| 94 |
+ media-gfx/imagemagick |
| 95 |
+ ) |
| 96 |
+ dev-libs/tinyxml2 |
| 97 |
+ " |
| 98 |
+RDEPEND="${CDEPEND}" |
| 99 |
+ |
| 100 |
+REQUIRED_USE=" |
| 101 |
+ || ( single-precision double-precision ) |
| 102 |
+ cuda? ( single-precision ) |
| 103 |
+ mkl? ( !blas !fftw !lapack )" |
| 104 |
+ |
| 105 |
+DOCS=( AUTHORS README ) |
| 106 |
+ |
| 107 |
+if [[ ${PV} != *9999 ]]; then |
| 108 |
+ S="${WORKDIR}/${PN}-${PV/_/-}" |
| 109 |
+fi |
| 110 |
+ |
| 111 |
+pkg_pretend() { |
| 112 |
+ [[ $(gcc-version) == "4.1" ]] && die "gcc 4.1 is not supported by gromacs" |
| 113 |
+ use openmp && ! tc-has-openmp && \ |
| 114 |
+ die "Please switch to an openmp compatible compiler" |
| 115 |
+} |
| 116 |
+ |
| 117 |
+src_unpack() { |
| 118 |
+ if [[ ${PV} != *9999 ]]; then |
| 119 |
+ default |
| 120 |
+ else |
| 121 |
+ git-r3_src_unpack |
| 122 |
+ if use test; then |
| 123 |
+ EGIT_REPO_URI="git://git.gromacs.org/regressiontests.git" \ |
| 124 |
+ EGIT_BRANCH="${EGIT_BRANCH}" \ |
| 125 |
+ EGIT_CHECKOUT_DIR="${WORKDIR}/regressiontests"\ |
| 126 |
+ git-r3_src_unpack |
| 127 |
+ fi |
| 128 |
+ fi |
| 129 |
+} |
| 130 |
+ |
| 131 |
+src_prepare() { |
| 132 |
+ #notes/todos |
| 133 |
+ # -on apple: there is framework support |
| 134 |
+ |
| 135 |
+ xdg_environment_reset #591952 |
| 136 |
+ |
| 137 |
+ cmake-utils_src_prepare |
| 138 |
+ |
| 139 |
+ use cuda && cuda_src_prepare |
| 140 |
+ |
| 141 |
+ GMX_DIRS="" |
| 142 |
+ use single-precision && GMX_DIRS+=" float" |
| 143 |
+ use double-precision && GMX_DIRS+=" double" |
| 144 |
+ |
| 145 |
+ if use test; then |
| 146 |
+ for x in ${GMX_DIRS}; do |
| 147 |
+ mkdir -p "${WORKDIR}/${P}_${x}" || die |
| 148 |
+ cp -al "${WORKDIR}/regressiontests"* "${WORKDIR}/${P}_${x}/tests" || die |
| 149 |
+ done |
| 150 |
+ fi |
| 151 |
+ |
| 152 |
+ DOC_CONTENTS="Gromacs can use sci-chemistry/vmd to read additional file formats" |
| 153 |
+} |
| 154 |
+ |
| 155 |
+src_configure() { |
| 156 |
+ local mycmakeargs_pre=( ) extra fft_opts=( ) |
| 157 |
+ |
| 158 |
+ #go from slowest to fastest acceleration |
| 159 |
+ local acce="None" |
| 160 |
+ use cpu_flags_x86_sse2 && acce="SSE2" |
| 161 |
+ use cpu_flags_x86_sse4_1 && acce="SSE4.1" |
| 162 |
+ use cpu_flags_x86_fma4 && acce="AVX_128_FMA" |
| 163 |
+ use cpu_flags_x86_avx && acce="AVX_256" |
| 164 |
+ use cpu_flags_x86_avx2 && acce="AVX2_256" |
| 165 |
+ |
| 166 |
+ #to create man pages, build tree binaries are executed (bug #398437) |
| 167 |
+ [[ ${CHOST} = *-darwin* ]] && \ |
| 168 |
+ extra+=" -DCMAKE_BUILD_WITH_INSTALL_RPATH=OFF" |
| 169 |
+ |
| 170 |
+ if use fftw; then |
| 171 |
+ fft_opts=( -DGMX_FFT_LIBRARY=fftw3 ) |
| 172 |
+ elif use mkl && has_version "=sci-libs/mkl-10*"; then |
| 173 |
+ fft_opts=( -DGMX_FFT_LIBRARY=mkl |
| 174 |
+ -DMKL_INCLUDE_DIR="${MKLROOT}/include" |
| 175 |
+ -DMKL_LIBRARIES="$(echo /opt/intel/mkl/10.0.5.025/lib/*/libmkl.so);$(echo /opt/intel/mkl/10.0.5.025/lib/*/libiomp*.so)" |
| 176 |
+ ) |
| 177 |
+ elif use mkl && has_version "<sci-libs/mkl-11.3"; then |
| 178 |
+ local bits=$(get_libdir) |
| 179 |
+ fft_opts=( -DGMX_FFT_LIBRARY=mkl |
| 180 |
+ -DMKL_INCLUDE_DIR="$(echo /opt/intel/*/mkl/include)" |
| 181 |
+ -DMKL_LIBRARIES="$(echo /opt/intel/*/mkl/lib/*${bits/lib}/libmkl_rt.so)" |
| 182 |
+ ) |
| 183 |
+ elif use mkl; then |
| 184 |
+ local bits=$(get_libdir) |
| 185 |
+ fft_opts=( -DGMX_FFT_LIBRARY=mkl |
| 186 |
+ -DMKL_INCLUDE_DIR="$(echo /opt/intel/*/linux/mkl/include)" |
| 187 |
+ -DMKL_LIBRARIES="$(echo /opt/intel/*/linux/mkl/lib/*${bits/lib}/libmkl_rt.so)" |
| 188 |
+ ) |
| 189 |
+ else |
| 190 |
+ fft_opts=( -DGMX_FFT_LIBRARY=fftpack ) |
| 191 |
+ fi |
| 192 |
+ |
| 193 |
+ mycmakeargs_pre+=( |
| 194 |
+ "${fft_opts[@]}" |
| 195 |
+ -DGMX_X11=$(usex X) |
| 196 |
+ -DGMX_EXTERNAL_BLAS=$(usex blas) |
| 197 |
+ -DGMX_EXTERNAL_LAPACK=$(usex lapack) |
| 198 |
+ -DGMX_OPENMP=$(usex openmp) |
| 199 |
+ -DGMX_COOL_QUOTES=$(usex offensive) |
| 200 |
+ -DGMX_USE_TNG=$(usex tng) |
| 201 |
+ -DGMX_BUILD_MANUAL=$(usex doc) |
| 202 |
+ -DGMX_HWLOC=$(usex hwloc) |
| 203 |
+ -DGMX_DEFAULT_SUFFIX=off |
| 204 |
+ -DGMX_SIMD="$acce" |
| 205 |
+ -DGMX_LIB_INSTALL_DIR="$(get_libdir)" |
| 206 |
+ -DGMX_VMD_PLUGIN_PATH="${EPREFIX}/usr/$(get_libdir)/vmd/plugins/*/molfile/" |
| 207 |
+ -DBUILD_TESTING=OFF |
| 208 |
+ -DGMX_BUILD_UNITTESTS=OFF |
| 209 |
+ -DGMX_EXTERNAL_TINYXML2=ON |
| 210 |
+ ${extra} |
| 211 |
+ ) |
| 212 |
+ |
| 213 |
+ for x in ${GMX_DIRS}; do |
| 214 |
+ einfo "Configuring for ${x} precision" |
| 215 |
+ local suffix="" |
| 216 |
+ #if we build single and double - double is suffixed |
| 217 |
+ use double-precision && use single-precision && \ |
| 218 |
+ [[ ${x} = "double" ]] && suffix="_d" |
| 219 |
+ local p |
| 220 |
+ [[ ${x} = "double" ]] && p="-DGMX_DOUBLE=ON" || p="-DGMX_DOUBLE=OFF" |
| 221 |
+ local cuda=( "-DGMX_GPU=OFF" ) |
| 222 |
+ [[ ${x} = "float" ]] && use cuda && \ |
| 223 |
+ cuda=( -DGMX_GPU=ON ) |
| 224 |
+ mycmakeargs=( |
| 225 |
+ ${mycmakeargs_pre[@]} ${p} |
| 226 |
+ -DGMX_MPI=OFF |
| 227 |
+ -DGMX_THREAD_MPI=$(usex threads) |
| 228 |
+ "${cuda[@]}" |
| 229 |
+ "$(use test && echo -DREGRESSIONTEST_PATH="${WORKDIR}/${P}_${x}/tests")" |
| 230 |
+ -DGMX_BINARY_SUFFIX="${suffix}" |
| 231 |
+ -DGMX_LIBS_SUFFIX="${suffix}" |
| 232 |
+ ) |
| 233 |
+ BUILD_DIR="${WORKDIR}/${P}_${x}" cmake-utils_src_configure |
| 234 |
+ [[ ${CHOST} != *-darwin* ]] || \ |
| 235 |
+ sed -i '/SET(CMAKE_INSTALL_NAME_DIR/s/^/#/' "${WORKDIR}/${P}_${x}/gentoo_rules.cmake" || die |
| 236 |
+ use mpi || continue |
| 237 |
+ einfo "Configuring for ${x} precision with mpi" |
| 238 |
+ mycmakeargs=( |
| 239 |
+ ${mycmakeargs_pre[@]} ${p} |
| 240 |
+ -DGMX_THREAD_MPI=OFF |
| 241 |
+ -DGMX_MPI=ON ${cuda} |
| 242 |
+ -DGMX_OPENMM=OFF |
| 243 |
+ -DGMX_BUILD_MDRUN_ONLY=ON |
| 244 |
+ -DBUILD_SHARED_LIBS=OFF |
| 245 |
+ -DGMX_BUILD_MANUAL=OFF |
| 246 |
+ -DGMX_BINARY_SUFFIX="_mpi${suffix}" |
| 247 |
+ -DGMX_LIBS_SUFFIX="_mpi${suffix}" |
| 248 |
+ ) |
| 249 |
+ BUILD_DIR="${WORKDIR}/${P}_${x}_mpi" CC="mpicc" cmake-utils_src_configure |
| 250 |
+ [[ ${CHOST} != *-darwin* ]] || \ |
| 251 |
+ sed -i '/SET(CMAKE_INSTALL_NAME_DIR/s/^/#/' "${WORKDIR}/${P}_${x}_mpi/gentoo_rules.cmake" || die |
| 252 |
+ done |
| 253 |
+} |
| 254 |
+ |
| 255 |
+src_compile() { |
| 256 |
+ for x in ${GMX_DIRS}; do |
| 257 |
+ einfo "Compiling for ${x} precision" |
| 258 |
+ BUILD_DIR="${WORKDIR}/${P}_${x}"\ |
| 259 |
+ cmake-utils_src_compile |
| 260 |
+ # not 100% necessary for rel ebuilds as available from website |
| 261 |
+ if use doc; then |
| 262 |
+ BUILD_DIR="${WORKDIR}/${P}_${x}"\ |
| 263 |
+ cmake-utils_src_compile manual |
| 264 |
+ fi |
| 265 |
+ use mpi || continue |
| 266 |
+ einfo "Compiling for ${x} precision with mpi" |
| 267 |
+ BUILD_DIR="${WORKDIR}/${P}_${x}_mpi"\ |
| 268 |
+ cmake-utils_src_compile |
| 269 |
+ done |
| 270 |
+} |
| 271 |
+ |
| 272 |
+src_test() { |
| 273 |
+ for x in ${GMX_DIRS}; do |
| 274 |
+ BUILD_DIR="${WORKDIR}/${P}_${x}"\ |
| 275 |
+ cmake-utils_src_make check |
| 276 |
+ done |
| 277 |
+} |
| 278 |
+ |
| 279 |
+src_install() { |
| 280 |
+ for x in ${GMX_DIRS}; do |
| 281 |
+ BUILD_DIR="${WORKDIR}/${P}_${x}" \ |
| 282 |
+ cmake-utils_src_install |
| 283 |
+ if use doc; then |
| 284 |
+ newdoc "${WORKDIR}/${P}_${x}"/docs/manual/gromacs.pdf "${PN}-manual-${PV}.pdf" |
| 285 |
+ fi |
| 286 |
+ use mpi || continue |
| 287 |
+ BUILD_DIR="${WORKDIR}/${P}_${x}_mpi" \ |
| 288 |
+ cmake-utils_src_install |
| 289 |
+ done |
| 290 |
+ |
| 291 |
+ if use tng; then |
| 292 |
+ insinto /usr/include/tng |
| 293 |
+ doins src/external/tng_io/include/tng/*h |
| 294 |
+ fi |
| 295 |
+ # drop unneeded stuff |
| 296 |
+ rm "${ED}"usr/bin/GMXRC* || die |
| 297 |
+ for x in "${ED}"usr/bin/gmx-completion-*.bash ; do |
| 298 |
+ local n=${x##*/gmx-completion-} |
| 299 |
+ n="${n%.bash}" |
| 300 |
+ cat "${ED}"usr/bin/gmx-completion.bash "$x" > "${T}/${n}" || die |
| 301 |
+ newbashcomp "${T}"/"${n}" "${n}" |
| 302 |
+ done |
| 303 |
+ rm "${ED}"usr/bin/gmx-completion*.bash || die |
| 304 |
+ readme.gentoo_create_doc |
| 305 |
+} |
| 306 |
+ |
| 307 |
+pkg_postinst() { |
| 308 |
+ einfo |
| 309 |
+ einfo "Please read and cite:" |
| 310 |
+ einfo "Gromacs 4, J. Chem. Theory Comput. 4, 435 (2008). " |
| 311 |
+ einfo "http://dx.doi.org/10.1021/ct700301q" |
| 312 |
+ einfo |
| 313 |
+ readme.gentoo_print_elog |
| 314 |
+} |
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