| 1 |
commit: 83721cdf87d183ae7089cd7d7403969c379376e9 |
| 2 |
Author: Alexey Shvetsov <alexxy <AT> gentoo <DOT> org> |
| 3 |
AuthorDate: Mon Jul 11 18:34:14 2016 +0000 |
| 4 |
Commit: Alexey Shvetsov <alexxy <AT> gentoo <DOT> org> |
| 5 |
CommitDate: Mon Jul 11 18:34:14 2016 +0000 |
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URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=83721cdf |
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|
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sci-chemistry/gromacs: Version bump |
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|
| 10 |
Package-Manager: portage-2.3.0 |
| 11 |
|
| 12 |
sci-chemistry/gromacs/Manifest | 2 + |
| 13 |
sci-chemistry/gromacs/gromacs-5.1.2.ebuild | 269 +++++++++++++++++++++++++++++ |
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2 files changed, 271 insertions(+) |
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|
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diff --git a/sci-chemistry/gromacs/Manifest b/sci-chemistry/gromacs/Manifest |
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index 745e8aa..350f1c8 100644 |
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--- a/sci-chemistry/gromacs/Manifest |
| 19 |
+++ b/sci-chemistry/gromacs/Manifest |
| 20 |
@@ -3,10 +3,12 @@ DIST gromacs-5.0.5.tar.gz 26343524 SHA256 952c9d14879a12d03362b2233e47c51385dc99 |
| 21 |
DIST gromacs-5.0.6.tar.gz 26351063 SHA256 e07e950c4cd6cb84b83b145b70a15c25338ad6a7d7d1a0a83cdbd51cad954952 SHA512 5bd11d2ab79cc94c1ecf10bb05c239f7a4aed426ba3da0e536076e5145ff854889f9f0808d87a8ce007d86fce8eff9b6a809ae5fb68478528ea405c335dbffb2 WHIRLPOOL e5898fa247016a4c52e7ddc77ba03f0d39df2b863607a79f4b88f7029a2467e22cd84a507c18b52b4015619341699bbede28939be485613ac145b499a7d0998d |
| 22 |
DIST gromacs-5.0.7.tar.gz 26358119 SHA256 23bc5ae28e0e274965966f0a00e44ec6ffbc28c5cd2d6b64a0aa0a2bc59472ec SHA512 612dba608fe6fd3a6fd69d1edeb97ec2975361ab44ea5219990901cecafbbe542a2c8bc6acc3f89b7fdcda77ab1b0762977ddc48cc1523155f7033e4e000660f WHIRLPOOL 26292f8751c2238f4fd9a63cb64888c2d236237dc140f08b45997b87b917b096d3d7c8451e5e0633e71cd770d7e7336dbbd3056777e290d0232a902ee4018e4b |
| 23 |
DIST gromacs-5.1.1.tar.gz 26551710 SHA256 9316fd0be320e2dd8c048f905df5be115e1b230c4ca4f3a7ef5892a1fc0bc212 SHA512 52404b4134cfbc867553a6b3f968500e3fc85b103abef6a7de9d0a9bf53c12ad1b908c35f9eed9376965db4a250c87cffe44d8c67247512c04ee84e7d1e07074 WHIRLPOOL 7a82e2cf6a73d4083ed4f1105dee4e392eaeb7e60e97a054a15e6a505e8a124d396005912b6c40acda53608cdd19ef2422c37b182733b4fe412e74defd7489b2 |
| 24 |
+DIST gromacs-5.1.2.tar.gz 26562718 SHA256 39d6f1d7ae8ba38cea6089da40676bfa4049a49903d21551abc030992a58f304 SHA512 ddd29bba97eaf8c32f7f5daa441c1aac85222881a9cf7757f55ef7f1a15f8f45cdc600eb90059053205d71652281c85601e107ff5928425afdb0c13e8ef1de69 WHIRLPOOL 12f217e480bd04cd0cfb68c22345cfe2cd77f9417f0f873ff61aeea734aa33d61810db4e1539cd265f1ffcf2df123353592c6176aa8dce236b64de74a97a76e0 |
| 25 |
DIST gromacs-5.1.tar.gz 26546875 SHA256 996b6061971e11942252de36b67b5cf35f02ce14adf80db8a3f079fc686c2743 SHA512 9655bd387773fa3ab0b7316854552a63945255ef02c5d9d1f98b32213b6642532b6bed88b06354d46d0ed235d6dc39e57a987a6585fb463e5aba80f366268301 WHIRLPOOL e5b4e90897c82a016911291f14daef41aa846143eae1cf5e6b9d552afe9ecbd3663d7df6350f5edd4778fa3a479c18b22efcabd9d49e1f4c304a3d39e35eaac4 |
| 26 |
DIST regressiontests-5.0.4.tar.gz 65193251 SHA256 89ad9bc067035ac8f340319b538c446983d937b910067e871911d7afe2ecb3f0 SHA512 747725fa28c1c9525596bdeeb8809e45268e19036c11dac67d043aa1c51748688ca37eb6014eb7e819eb927a8b9ca2631d0ace4cdff8ed491b08c316c530ab65 WHIRLPOOL e15ccab0a0beefac41aeff11e2e596e971167f1590eed159ff82c4a8e3aec1d234287be597026951904ecfe6099f30ef3bcd48f2098b9f5201bde62e15fbc4f9 |
| 27 |
DIST regressiontests-5.0.5.tar.gz 65204335 SHA256 e48b9934de89c23a63c9adc8ba9a5aa397cf5a4d1746165d833c556d5ce54833 SHA512 1a1d1a3398ba5d3cc9f68e0f401437ccbdf3265f3ea1100b3b0d314d61ccd467ce3e8492ee09a645c5aaf9c1ca0acdf5ed6213a61bbd689833f3ca002bd5c79b WHIRLPOOL 882c9d8fa45720a5a71811db898aa33b9323bfe60340e8c4f4e2ef537f02efb531c0f3a721ead0e98bdb96f1e9d71df24d1d0faae448ab3da096c694e2a9b593 |
| 28 |
DIST regressiontests-5.0.6.tar.gz 65203643 SHA256 fd0a2408250dfc088ac9b401bc8702b8ba398a81db56c214d55f68f838d7c079 SHA512 dec41fbaa93784fb6438887eeef9f523add06032ae9801b83c492f5924872cd9b6a17e07d61cd7d8f999193d46384112e4c8046f4b2a3c28eb0c08f11c1ad8c6 WHIRLPOOL e6a8e99abc3b59be0f246769de0ebdef528caa24b930999dfbe0167a58696a68a31d0b819d2503e312977f0ec4d1ee2acb60e8eb691fab45e608250f2dfde728 |
| 29 |
DIST regressiontests-5.0.7.tar.gz 65204051 SHA256 831c5f52b941826842a5312e3c6cd74a6410938bc5876d3f32d53215d64fb084 SHA512 2e93c84f62772eaf6facd45db67f51f751b4fa80923c71bc4fb293b33361b1314d714020bd8d50a1d0859aeedd67ce76f593e82ef31372128cbb8555eb6446b1 WHIRLPOOL b050f80946a76e752d53ccadd378ec0869f3221706a29f87d262a46fb11941b600d27b5388a5311a4fde53d60560f907150f884212e2d49a3df4b2519d1ceb3e |
| 30 |
DIST regressiontests-5.1.1.tar.gz 66711961 SHA256 2d51c57c6d584c4a6637b4b546eaf4b1f1713df10fe694544a82cc208a88cd78 SHA512 df865f0c900d52463cecc5482fee1c76d0c6a7f2dcb6ec657e03d1acf5ef8c60292781e6bbd43b9ebf2aab5a91782f474cef122ef118043c47eb3579656f75a6 WHIRLPOOL dd0b16ffdbd2e6eab141d327ed8922b3f038c80d414823c8d9f2e5e52cb5b820b177ec9f7a07dd794a29371eaa287a602bbd1bde9c9e895abd30c8da14f14226 |
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+DIST regressiontests-5.1.2.tar.gz 66704132 SHA256 3e4704308da282e2e8e2550f6acae029353bf42ede4b1eccb20b157e399f3cf7 SHA512 b53fb36d5ce00361998ca9eb2121efc0d616e628ad81bf08c7fdc2cc43929cbc2e528cdd8260036235960ad96363b496aadd345d55fc100cdf02d680b2cca996 WHIRLPOOL 0859db2e0e51d56752f17d6021c2e5f6a6b820236aff731dd18335b3bde94899985c96bbe98f62c9144d8ff88fcc7e6f3091cf78618d7734345cfe71f0f6a026 |
| 32 |
DIST regressiontests-5.1.tar.gz 66707378 SHA256 c2d751a503d5e19962198f565edb29ea2aa67f863dce02e93b82b08a02487eca SHA512 1896f967362a1a3ae1ff13b405f4633754f97ad366c01b4b3b52368a01dae70e3b71cb171bba05c7d566fe8c3c4fcf8ce6538a6ff130143606fa2302b2e714c3 WHIRLPOOL 95b77a324a26ddc97f215ab7abc60a4d72f4fe39eaa43d14431d42d70875de71bcc9a8af90cceb4deaacead7c98e744b5200f867fb3c14bd6f2c1ff725825b8b |
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|
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diff --git a/sci-chemistry/gromacs/gromacs-5.1.2.ebuild b/sci-chemistry/gromacs/gromacs-5.1.2.ebuild |
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new file mode 100644 |
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index 0000000..4fb8aae |
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--- /dev/null |
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+++ b/sci-chemistry/gromacs/gromacs-5.1.2.ebuild |
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@@ -0,0 +1,269 @@ |
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+# Copyright 1999-2016 Gentoo Foundation |
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+# Distributed under the terms of the GNU General Public License v2 |
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+# $Id$ |
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+ |
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+EAPI=6 |
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+ |
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+CMAKE_MAKEFILE_GENERATOR="ninja" |
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+ |
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+inherit bash-completion-r1 cmake-utils cuda eutils multilib readme.gentoo-r1 toolchain-funcs |
| 49 |
+ |
| 50 |
+if [[ $PV = *9999* ]]; then |
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+ EGIT_REPO_URI="git://git.gromacs.org/gromacs.git |
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+ https://gerrit.gromacs.org/gromacs.git |
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+ git://github.com/gromacs/gromacs.git |
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+ http://repo.or.cz/r/gromacs.git" |
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+ [[ $PV = 9999 ]] && EGIT_BRANCH="master" || EGIT_BRANCH="release-${PV:0:1}-${PV:2:1}" |
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+ inherit git-r3 |
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+ KEYWORDS="" |
| 58 |
+else |
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+ SRC_URI="ftp://ftp.gromacs.org/pub/${PN}/${PN}-${PV/_/-}.tar.gz |
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+ test? ( http://gerrit.gromacs.org/download/regressiontests-${PV}.tar.gz )" |
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+ KEYWORDS="~alpha ~amd64 ~arm ~ppc64 ~sparc ~x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-macos" |
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+fi |
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+ |
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+ACCE_IUSE="cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2" |
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+ |
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+DESCRIPTION="The ultimate molecular dynamics simulation package" |
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+HOMEPAGE="http://www.gromacs.org/" |
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+ |
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+# see COPYING for details |
| 70 |
+# http://repo.or.cz/w/gromacs.git/blob/HEAD:/COPYING |
| 71 |
+# base, vmd plugins, fftpack from numpy, blas/lapck from netlib, memtestG80 library, mpi_thread lib |
| 72 |
+LICENSE="LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )" |
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+SLOT="0/${PV}" |
| 74 |
+IUSE="X blas boost cuda +doc -double-precision +fftw lapack mkl mpi +offensive openmp +single-precision test +threads +tng ${ACCE_IUSE}" |
| 75 |
+ |
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+CDEPEND=" |
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+ X? ( |
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+ x11-libs/libX11 |
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+ x11-libs/libSM |
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+ x11-libs/libICE |
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+ ) |
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+ blas? ( virtual/blas ) |
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+ boost? ( >=dev-libs/boost-1.55 ) |
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+ cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 ) |
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+ fftw? ( sci-libs/fftw:3.0 ) |
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+ lapack? ( virtual/lapack ) |
| 87 |
+ mkl? ( sci-libs/mkl ) |
| 88 |
+ mpi? ( virtual/mpi ) |
| 89 |
+ " |
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+DEPEND="${CDEPEND} |
| 91 |
+ virtual/pkgconfig |
| 92 |
+ doc? ( |
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+ app-doc/doxygen |
| 94 |
+ dev-texlive/texlive-latex |
| 95 |
+ dev-texlive/texlive-latexextra |
| 96 |
+ media-gfx/imagemagick |
| 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 |
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+} |
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+ |
| 131 |
+src_prepare() { |
| 132 |
+ #notes/todos |
| 133 |
+ # -on apple: there is framework support |
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+ |
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+ cmake-utils_src_prepare |
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+ |
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+ use cuda && cuda_src_prepare |
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+ |
| 139 |
+ GMX_DIRS="" |
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+ use single-precision && GMX_DIRS+=" float" |
| 141 |
+ use double-precision && GMX_DIRS+=" double" |
| 142 |
+ |
| 143 |
+ if use test; then |
| 144 |
+ for x in ${GMX_DIRS}; do |
| 145 |
+ mkdir -p "${WORKDIR}/${P}_${x}" || die |
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+ cp -al "${WORKDIR}/regressiontests"* "${WORKDIR}/${P}_${x}/tests" || die |
| 147 |
+ done |
| 148 |
+ fi |
| 149 |
+ |
| 150 |
+ DOC_CONTENTS="Gromacs can use sci-chemistry/vmd to read additional file formats" |
| 151 |
+} |
| 152 |
+ |
| 153 |
+src_configure() { |
| 154 |
+ local mycmakeargs_pre=( ) extra fft_opts=( ) |
| 155 |
+ |
| 156 |
+ #go from slowest to fastest acceleration |
| 157 |
+ local acce="None" |
| 158 |
+ use cpu_flags_x86_sse2 && acce="SSE2" |
| 159 |
+ use cpu_flags_x86_sse4_1 && acce="SSE4.1" |
| 160 |
+ use cpu_flags_x86_fma4 && acce="AVX_128_FMA" |
| 161 |
+ use cpu_flags_x86_avx && acce="AVX_256" |
| 162 |
+ use cpu_flags_x86_avx2 && acce="AVX2_256" |
| 163 |
+ |
| 164 |
+ #to create man pages, build tree binaries are executed (bug #398437) |
| 165 |
+ [[ ${CHOST} = *-darwin* ]] && \ |
| 166 |
+ extra+=" -DCMAKE_BUILD_WITH_INSTALL_RPATH=OFF" |
| 167 |
+ |
| 168 |
+ if use fftw; then |
| 169 |
+ fft_opts=( -DGMX_FFT_LIBRARY=fftw3 ) |
| 170 |
+ elif use mkl && has_version "=sci-libs/mkl-10*"; then |
| 171 |
+ fft_opts=( -DGMX_FFT_LIBRARY=mkl |
| 172 |
+ -DMKL_INCLUDE_DIR="${MKLROOT}/include" |
| 173 |
+ -DMKL_LIBRARIES="$(echo /opt/intel/mkl/10.0.5.025/lib/*/libmkl.so);$(echo /opt/intel/mkl/10.0.5.025/lib/*/libiomp*.so)" |
| 174 |
+ ) |
| 175 |
+ elif use mkl; then |
| 176 |
+ local bits=$(get_libdir) |
| 177 |
+ fft_opts=( -DGMX_FFT_LIBRARY=mkl |
| 178 |
+ -DMKL_INCLUDE_DIR="$(echo /opt/intel/*/mkl/include)" |
| 179 |
+ -DMKL_LIBRARIES="$(echo /opt/intel/*/mkl/lib/*${bits/lib}/libmkl_rt.so)" |
| 180 |
+ ) |
| 181 |
+ else |
| 182 |
+ fft_opts=( -DGMX_FFT_LIBRARY=fftpack ) |
| 183 |
+ fi |
| 184 |
+ |
| 185 |
+ mycmakeargs_pre+=( |
| 186 |
+ "${fft_opts[@]}" |
| 187 |
+ $(cmake-utils_use X GMX_X11) |
| 188 |
+ $(cmake-utils_use blas GMX_EXTERNAL_BLAS) |
| 189 |
+ $(cmake-utils_use lapack GMX_EXTERNAL_LAPACK) |
| 190 |
+ $(cmake-utils_use openmp GMX_OPENMP) |
| 191 |
+ $(cmake-utils_use offensive GMX_COOL_QUOTES) |
| 192 |
+ $(cmake-utils_use boost GMX_EXTERNAL_BOOST) |
| 193 |
+ $(cmake-utils_use tng GMX_USE_TNG) |
| 194 |
+ $(cmake-utils_use doc GMX_BUILD_MANUAL) |
| 195 |
+ -DGMX_DEFAULT_SUFFIX=off |
| 196 |
+ -DGMX_SIMD="$acce" |
| 197 |
+ -DGMX_LIB_INSTALL_DIR="$(get_libdir)" |
| 198 |
+ -DGMX_VMD_PLUGIN_PATH="${EPREFIX}/usr/$(get_libdir)/vmd/plugins/*/molfile/" |
| 199 |
+ -DGMX_X86_AVX_GCC_MASKLOAD_BUG=OFF |
| 200 |
+ -DGMX_USE_GCC44_BUG_WORKAROUND=OFF |
| 201 |
+ -DBUILD_TESTING=OFF |
| 202 |
+ -DGMX_BUILD_UNITTESTS=OFF |
| 203 |
+ ${extra} |
| 204 |
+ ) |
| 205 |
+ |
| 206 |
+ for x in ${GMX_DIRS}; do |
| 207 |
+ einfo "Configuring for ${x} precision" |
| 208 |
+ local suffix="" |
| 209 |
+ #if we build single and double - double is suffixed |
| 210 |
+ use double-precision && use single-precision && \ |
| 211 |
+ [[ ${x} = "double" ]] && suffix="_d" |
| 212 |
+ local p |
| 213 |
+ [[ ${x} = "double" ]] && p="-DGMX_DOUBLE=ON" || p="-DGMX_DOUBLE=OFF" |
| 214 |
+ local cuda=( "-DGMX_GPU=OFF" ) |
| 215 |
+ [[ ${x} = "float" ]] && use cuda && \ |
| 216 |
+ cuda=( -DGMX_GPU=ON ) |
| 217 |
+ mycmakeargs=( |
| 218 |
+ ${mycmakeargs_pre[@]} ${p} |
| 219 |
+ -DGMX_MPI=OFF |
| 220 |
+ $(cmake-utils_use threads GMX_THREAD_MPI) |
| 221 |
+ "${cuda[@]}" |
| 222 |
+ -DGMX_OPENMM=OFF |
| 223 |
+ "$(use test && echo -DREGRESSIONTEST_PATH="${WORKDIR}/${P}_${x}/tests")" |
| 224 |
+ -DGMX_BINARY_SUFFIX="${suffix}" |
| 225 |
+ -DGMX_LIBS_SUFFIX="${suffix}" |
| 226 |
+ ) |
| 227 |
+ BUILD_DIR="${WORKDIR}/${P}_${x}" cmake-utils_src_configure |
| 228 |
+ [[ ${CHOST} != *-darwin* ]] || \ |
| 229 |
+ sed -i '/SET(CMAKE_INSTALL_NAME_DIR/s/^/#/' "${WORKDIR}/${P}_${x}/gentoo_rules.cmake" || die |
| 230 |
+ use mpi || continue |
| 231 |
+ einfo "Configuring for ${x} precision with mpi" |
| 232 |
+ mycmakeargs=( |
| 233 |
+ ${mycmakeargs_pre[@]} ${p} |
| 234 |
+ -DGMX_THREAD_MPI=OFF |
| 235 |
+ -DGMX_MPI=ON ${cuda} |
| 236 |
+ -DGMX_OPENMM=OFF |
| 237 |
+ -DGMX_BUILD_MDRUN_ONLY=ON |
| 238 |
+ -DBUILD_SHARED_LIBS=OFF |
| 239 |
+ -DGMX_BUILD_MANUAL=OFF |
| 240 |
+ -DGMX_BINARY_SUFFIX="_mpi${suffix}" |
| 241 |
+ -DGMX_LIBS_SUFFIX="_mpi${suffix}" |
| 242 |
+ ) |
| 243 |
+ BUILD_DIR="${WORKDIR}/${P}_${x}_mpi" CC="mpicc" cmake-utils_src_configure |
| 244 |
+ [[ ${CHOST} != *-darwin* ]] || \ |
| 245 |
+ sed -i '/SET(CMAKE_INSTALL_NAME_DIR/s/^/#/' "${WORKDIR}/${P}_${x}_mpi/gentoo_rules.cmake" || die |
| 246 |
+ done |
| 247 |
+} |
| 248 |
+ |
| 249 |
+src_compile() { |
| 250 |
+ for x in ${GMX_DIRS}; do |
| 251 |
+ einfo "Compiling for ${x} precision" |
| 252 |
+ BUILD_DIR="${WORKDIR}/${P}_${x}"\ |
| 253 |
+ cmake-utils_src_compile |
| 254 |
+ # not 100% necessary for rel ebuilds as available from website |
| 255 |
+ if use doc; then |
| 256 |
+ BUILD_DIR="${WORKDIR}/${P}_${x}"\ |
| 257 |
+ cmake-utils_src_compile manual |
| 258 |
+ fi |
| 259 |
+ use mpi || continue |
| 260 |
+ einfo "Compiling for ${x} precision with mpi" |
| 261 |
+ BUILD_DIR="${WORKDIR}/${P}_${x}_mpi"\ |
| 262 |
+ cmake-utils_src_compile |
| 263 |
+ done |
| 264 |
+} |
| 265 |
+ |
| 266 |
+src_test() { |
| 267 |
+ for x in ${GMX_DIRS}; do |
| 268 |
+ BUILD_DIR="${WORKDIR}/${P}_${x}"\ |
| 269 |
+ cmake-utils_src_make check |
| 270 |
+ done |
| 271 |
+} |
| 272 |
+ |
| 273 |
+src_install() { |
| 274 |
+ for x in ${GMX_DIRS}; do |
| 275 |
+ BUILD_DIR="${WORKDIR}/${P}_${x}" \ |
| 276 |
+ cmake-utils_src_install |
| 277 |
+ if use doc; then |
| 278 |
+ newdoc "${WORKDIR}/${P}_${x}"/docs/manual/gromacs.pdf "${PN}-manual-${PV}.pdf" |
| 279 |
+ fi |
| 280 |
+ use mpi || continue |
| 281 |
+ BUILD_DIR="${WORKDIR}/${P}_${x}_mpi" \ |
| 282 |
+ cmake-utils_src_install |
| 283 |
+ done |
| 284 |
+ |
| 285 |
+ if use tng; then |
| 286 |
+ insinto /usr/include/tng |
| 287 |
+ doins src/external/tng_io/include/tng/*h |
| 288 |
+ fi |
| 289 |
+ # drop unneeded stuff |
| 290 |
+ rm "${ED}"usr/bin/GMXRC* || die |
| 291 |
+ for x in "${ED}"usr/bin/gmx-completion-*.bash ; do |
| 292 |
+ local n=${x##*/gmx-completion-} |
| 293 |
+ n="${n%.bash}" |
| 294 |
+ cat "${ED}"usr/bin/gmx-completion.bash "$x" > "${T}/${n}" || die |
| 295 |
+ newbashcomp "${T}"/"${n}" "${n}" |
| 296 |
+ done |
| 297 |
+ rm "${ED}"usr/bin/gmx-completion*.bash || die |
| 298 |
+ readme.gentoo_create_doc |
| 299 |
+} |
| 300 |
+ |
| 301 |
+pkg_postinst() { |
| 302 |
+ einfo |
| 303 |
+ einfo "Please read and cite:" |
| 304 |
+ einfo "Gromacs 4, J. Chem. Theory Comput. 4, 435 (2008). " |
| 305 |
+ einfo "http://dx.doi.org/10.1021/ct700301q" |
| 306 |
+ einfo |
| 307 |
+ readme.gentoo_print_elog |
| 308 |
+} |
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