Gentoo Archives: gentoo-commits

From: Alexey Shvetsov <alexxy@g.o>
To: gentoo-commits@l.g.o
Subject: [gentoo-commits] repo/gentoo:master commit in: sci-chemistry/gromacs/
Date: Wed, 02 Jun 2021 16:53:04
Message-Id: 1622652774.ab0c58e254dd583683eb4cf1318c8bfcdd81540f.alexxy@gentoo
1 commit: ab0c58e254dd583683eb4cf1318c8bfcdd81540f
2 Author: Alexey Shvetsov <alexxy <AT> gentoo <DOT> org>
3 AuthorDate: Wed Jun 2 16:51:31 2021 +0000
4 Commit: Alexey Shvetsov <alexxy <AT> gentoo <DOT> org>
5 CommitDate: Wed Jun 2 16:52:54 2021 +0000
6 URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=ab0c58e2
7
8 sci-chemistry/gromacs: Version bump
9
10 Package-Manager: Portage-3.0.19, Repoman-3.0.3
11 Signed-off-by: Alexey Shvetsov <alexxy <AT> gentoo.org>
12
13 sci-chemistry/gromacs/Manifest | 2 +
14 sci-chemistry/gromacs/gromacs-2021.2.ebuild | 349 ++++++++++++++++++++++++++++
15 2 files changed, 351 insertions(+)
16
17 diff --git a/sci-chemistry/gromacs/Manifest b/sci-chemistry/gromacs/Manifest
18 index e8df52ba837..bf643a26eb3 100644
19 --- a/sci-chemistry/gromacs/Manifest
20 +++ b/sci-chemistry/gromacs/Manifest
21 @@ -4,6 +4,7 @@ DIST gromacs-2020.4.tar.gz 29149899 BLAKE2B a07c8efd96137d58c1edf4ac9b5aafeb16d9
22 DIST gromacs-2020.5.tar.gz 29148909 BLAKE2B ea439ae95d4af67a77d53182f7ddab702799edab8527c1b6ad20625d21a81f3e3c0cc699fa0b656625bffcca0bdd5a1e104aea4f592ee2db92b4f1a460ad0e80 SHA512 fe38fda36d31aef5ce01a3dbc29c9f50d3cc05b20bb34a9a8f10fda5aecde4f93ca8a3f85433139e1bb88fc23d77916a4aff5a292abaa528bd0e6138e84cba18
23 DIST gromacs-2020.6.tar.gz 29196621 BLAKE2B b350fc62fd8eeb3f2b042fa74a4ed42e43a7b74efd8fddb60ec086a814048a52b8625da65fa5c4cf2cb1e22f8347562bc84d38bf34441fc5ebc6abaa38b0eea0 SHA512 4ce4d6b9ae33e9cd2a1ad3313e80acf63ded21dac897b01dbf87df2e318181796ef64c8a1d3e0a6058b972d8d88d00f710cd0277db12f38fc2c9b29772c98bea
24 DIST gromacs-2021.1.tar.gz 37971732 BLAKE2B 722a3c21afd9d5ad432b601c99a2d5ebb85012479851d52517559bc113d75424e7509f417fb74f5f935ae6614e01a31e7361e7e673c966964fd73f08621c8415 SHA512 7f9104a3df8aa808940fd380653e43ae716167df717687717d67ddd556a29acc6ba7c2e78ff9b920b145eb521998645bee0b3816438b1398374b6b7a1831513e
25 +DIST gromacs-2021.2.tar.gz 37976386 BLAKE2B 8818321bbcbdee25356bbf909d9c667f9d7cf180e696a323a61017683234d1269decc8f8d72b8012a8cc207f69e5cd97e2ab48dbbff06d82bbb407bc0578854b SHA512 51b1728f41932274436ab807d569109e2b0e145abcb5cf9c9b7daf6a7396f2f8716dc28fb93cf178c97a7eaeab2a88878d0bc71dd6c6abe7e829d579e7968615
26 DIST gromacs-2021.tar.gz 35061679 BLAKE2B a7d8bd728480455e5c069392e3921a4f788802ec164ee24241cac9bc7c555cee07ef26853efa61e40a787fa87e6d20af35d56b98ac6a3757ef07fc4176679e19 SHA512 10d9d64b3c2329613a18d861589428841f55bede45e1800aec25246258209be1385aabaa0d5b52425c0ac21804c38b401db76448bb539ff3cf25f8b94e09575c
27 DIST manual-2018.8.pdf 10025023 BLAKE2B afb0a6e6a72d78df743fcb57e7c1716848589e571dd35167b957a9b407ca27978ccfb6cb9e0df9c9439b888f352501a00ba32281ed1e0b4193bd606f1d77152e SHA512 b1972f7ce965bfc9377542993c5943ea4868a8ed23a969d4203264746d6bea3a7a65c6379196ece37fd6d68ec7ec80f827bde87d1049284af7082759a124f1d5
28 DIST manual-2019.6.pdf 12702376 BLAKE2B c350127bc06a9eb3dee73da39037c84daeb89500e23cb131bd19a150bf60602d4dde7611e0c6f0f344af4093e96a899303dac71b4df56fd0c44c3a48a56606b7 SHA512 dfdff67c2c1c9ce1f1c236b7686c5331b0fe86951da6c98eddd6a3e748815e0be0a9653ae4318469fcdd913c4e7c355d64a997cc80b9d9fbe6282ef6d98e61eb
29 @@ -13,4 +14,5 @@ DIST regressiontests-2020.4.tar.gz 48542144 BLAKE2B 1dcde67525d40ababa74d9e8ba2d
30 DIST regressiontests-2020.5.tar.gz 48541167 BLAKE2B 81f0505090203c970178ca4eba8dfd54d942a20970525cad954833481cd79141fa33fc97e8940ca83cee104ef6b017bc0f7bbed9eddc620a86c818760b3fc261 SHA512 aba67542ed00145cae8de040e4a9074a8a359a529135180e6083b2330934962302349d382d6626bddc6971ae6d44e09c8ea44d5df55ca5fcd038055a1c3e5cc3
31 DIST regressiontests-2020.6.tar.gz 48541232 BLAKE2B dbb405bd9168775984de8c9fb9e3fa2398d2790e2e4de23711c51a01dc3ea570d172a35d4924742ad5eda463eb0a885e6924512801e82b241600ceaefd5db70d SHA512 497a9e7d438b0b7b0734a97cf3683baf480ecc056e96b09f1e143c362ff047a4e51e323216750501c954559579716dc024d3c51319bd2c85fa719466ce4330b2
32 DIST regressiontests-2021.1.tar.gz 48516304 BLAKE2B 61e49e7a3ce0856cd22a6adc360f476bd4978650e21ad64074d3cd8db1d6109fb86cb91bcb161d00d1e912cf3fa40dd83c07e5cc873dc2177a11d7fb304e7ecc SHA512 c1158b7890e2ff94c6600e531fdceee439f19ee2d18093b8be68fbd18064aae4b035c697ebda4e9b74d61c68d905c26515a41c34a2ac9f8dd8a29c5348ecbab1
33 +DIST regressiontests-2021.2.tar.gz 48514312 BLAKE2B 81b007d5e5e1d054349c73dc8bc3589db328752e48a66687c0ad36be87ebe580df9cbd93b193a724669bd5765af06ec306f2e12af00a228af616de03943d6f05 SHA512 b687ddfd3dc6ec1051af2a3253633703ef1c82335d1df23379819ea47e44dfcd417e81e29610cc584d4c5fb1ee1cbc76731a3fd31b529d8cdd0b9c22f432c7ec
34 DIST regressiontests-2021.tar.gz 48513192 BLAKE2B e27898ef3936495fce111c8debdafbdaafae07cd9b27c8591cc27695f681fddda34f083d427e5b3afd2f318ff41201eabc915025f1fddef61ae29ceb13f37557 SHA512 e33578d32b929d516614592d0bf4aac4e518cc4f18fee4048d5b73b11f4373494c6d8aa43442e4e2be632c12c058657bce1064be82c515787d57b449c1241e48
35
36 diff --git a/sci-chemistry/gromacs/gromacs-2021.2.ebuild b/sci-chemistry/gromacs/gromacs-2021.2.ebuild
37 new file mode 100644
38 index 00000000000..16a2bffe6a3
39 --- /dev/null
40 +++ b/sci-chemistry/gromacs/gromacs-2021.2.ebuild
41 @@ -0,0 +1,349 @@
42 +# Copyright 1999-2021 Gentoo Authors
43 +# Distributed under the terms of the GNU General Public License v2
44 +
45 +EAPI=7
46 +
47 +CMAKE_MAKEFILE_GENERATOR="ninja"
48 +
49 +PYTHON_COMPAT=( python3_{7,8,9} )
50 +
51 +DISTUTILS_SINGLE_IMPL=1
52 +
53 +inherit bash-completion-r1 cmake cuda distutils-r1 flag-o-matic multilib readme.gentoo-r1 toolchain-funcs xdg-utils
54 +
55 +if [[ ${PV} = *9999* ]]; then
56 + EGIT_REPO_URI="
57 + https://gitlab.com/gromacs/gromacs.git
58 + https://github.com/gromacs/gromacs.git
59 + git://git.gromacs.org/gromacs.git"
60 + [[ ${PV} = 9999 ]] && EGIT_BRANCH="master" || EGIT_BRANCH="release-${PV:0:4}"
61 + inherit git-r3
62 +else
63 + SRC_URI="
64 + http://ftp.gromacs.org/gromacs/${PN}-${PV/_/-}.tar.gz
65 + test? ( http://ftp.gromacs.org/regressiontests/regressiontests-${PV/_/-}.tar.gz )"
66 + KEYWORDS="~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos"
67 +fi
68 +
69 +ACCE_IUSE="cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon"
70 +
71 +DESCRIPTION="The ultimate molecular dynamics simulation package"
72 +HOMEPAGE="http://www.gromacs.org/"
73 +
74 +# see COPYING for details
75 +# https://repo.or.cz/w/gromacs.git/blob/HEAD:/COPYING
76 +# base, vmd plugins, fftpack from numpy, blas/lapck from netlib, memtestG80 library, mpi_thread lib
77 +LICENSE="LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )"
78 +SLOT="0/${PV}"
79 +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}"
80 +
81 +CDEPEND="
82 + X? (
83 + x11-libs/libX11
84 + x11-libs/libSM
85 + x11-libs/libICE
86 + )
87 + blas? ( virtual/blas )
88 + cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14 )
89 + opencl? ( virtual/opencl )
90 + fftw? ( sci-libs/fftw:3.0 )
91 + hwloc? ( sys-apps/hwloc )
92 + lapack? ( virtual/lapack )
93 + lmfit? ( sci-libs/lmfit )
94 + mkl? ( sci-libs/mkl )
95 + mpi? ( virtual/mpi )
96 + ${PYTHON_DEPS}
97 + !sci-chemistry/gmxapi
98 + "
99 +BDEPEND="${CDEPEND}
100 + virtual/pkgconfig
101 + doc? (
102 + app-doc/doxygen
103 + $(python_gen_cond_dep '
104 + dev-python/sphinx[${PYTHON_MULTI_USEDEP}]
105 + ')
106 + media-gfx/mscgen
107 + media-gfx/graphviz
108 + dev-texlive/texlive-latex
109 + dev-texlive/texlive-latexextra
110 + media-gfx/imagemagick
111 + )"
112 +RDEPEND="${CDEPEND}"
113 +
114 +REQUIRED_USE="
115 + || ( single-precision double-precision )
116 + cuda? ( single-precision )
117 + cuda? ( !opencl )
118 + mkl? ( !blas !fftw !lapack )
119 + ${PYTHON_REQUIRED_USE}"
120 +
121 +DOCS=( AUTHORS README )
122 +
123 +RESTRICT="!test? ( test )"
124 +
125 +if [[ ${PV} != *9999 ]]; then
126 + S="${WORKDIR}/${PN}-${PV/_/-}"
127 +fi
128 +
129 +PATCHES=(
130 + "${FILESDIR}/${PN}-2020-pytest.patch"
131 + "${FILESDIR}/${PN}-2021-nblib.patch"
132 +)
133 +
134 +pkg_pretend() {
135 + [[ $(gcc-version) == "4.1" ]] && die "gcc 4.1 is not supported by gromacs"
136 + use openmp && ! tc-has-openmp && \
137 + die "Please switch to an openmp compatible compiler"
138 +}
139 +
140 +pkg_setup() {
141 + python-single-r1_pkg_setup
142 +}
143 +
144 +src_unpack() {
145 + if [[ ${PV} != *9999 ]]; then
146 + default
147 + else
148 + git-r3_src_unpack
149 + if use test; then
150 + EGIT_REPO_URI="git://git.gromacs.org/regressiontests.git" \
151 + EGIT_BRANCH="${EGIT_BRANCH}" \
152 + EGIT_CHECKOUT_DIR="${WORKDIR}/regressiontests"\
153 + git-r3_src_unpack
154 + fi
155 + fi
156 +}
157 +
158 +src_prepare() {
159 + #notes/todos
160 + # -on apple: there is framework support
161 +
162 + xdg_environment_reset #591952
163 +
164 + cmake_src_prepare
165 +
166 + use cuda && cuda_src_prepare
167 +
168 + GMX_DIRS=""
169 + use single-precision && GMX_DIRS+=" float"
170 + use double-precision && GMX_DIRS+=" double"
171 +
172 + if use test; then
173 + for x in ${GMX_DIRS}; do
174 + mkdir -p "${WORKDIR}/${P}_${x}" || die
175 + cp -al "${WORKDIR}/regressiontests"* "${WORKDIR}/${P}_${x}/tests" || die
176 + done
177 + fi
178 +
179 + DOC_CONTENTS="Gromacs can use sci-chemistry/vmd to read additional file formats"
180 +
181 + # try to create policy for imagemagik
182 + mkdir -p ${HOME}/.config/ImageMagick
183 + cat >> ${HOME}/.config/ImageMagick/policy.xml <<- EOF
184 + <?xml version="1.0" encoding="UTF-8"?>
185 + <!DOCTYPE policymap [
186 + <!ELEMENT policymap (policy)+>
187 + !ATTLIST policymap xmlns CDATA #FIXED ''>
188 + <!ELEMENT policy EMPTY>
189 + <!ATTLIST policy xmlns CDATA #FIXED '' domain NMTOKEN #REQUIRED
190 + name NMTOKEN #IMPLIED pattern CDATA #IMPLIED rights NMTOKEN #IMPLIED
191 + stealth NMTOKEN #IMPLIED value CDATA #IMPLIED>
192 + ]>
193 + <policymap>
194 + <policy domain="coder" rights="read | write" pattern="PS" />
195 + <policy domain="coder" rights="read | write" pattern="PS2" />
196 + <policy domain="coder" rights="read | write" pattern="PS3" />
197 + <policy domain="coder" rights="read | write" pattern="EPS" />
198 + <policy domain="coder" rights="read | write" pattern="PDF" />
199 + <policy domain="coder" rights="read | write" pattern="XPS" />
200 + </policymap>
201 + EOF
202 +}
203 +
204 +src_configure() {
205 + local mycmakeargs_pre=( ) extra fft_opts=( )
206 +
207 + if use custom-cflags; then
208 + #go from slowest to fastest acceleration
209 + local acce="None"
210 + if (use amd64 || use x86); then
211 + use cpu_flags_x86_sse2 && acce="SSE2"
212 + use cpu_flags_x86_sse4_1 && acce="SSE4.1"
213 + use cpu_flags_x86_fma4 && acce="AVX_128_FMA"
214 + use cpu_flags_x86_avx && acce="AVX_256"
215 + use cpu_flags_x86_avx2 && acce="AVX2_256"
216 + use cpu_flags_x86_avx512f && acce="AVX_512"
217 + elif (use arm); then
218 + use cpu_flags_arm_neon && acce="ARM_NEON"
219 + elif (use arm64); then
220 + use cpu_flags_arm_neon && acce="ARM_NEON_ASIMD"
221 + fi
222 + else
223 + strip-flags
224 + fi
225 +
226 + #to create man pages, build tree binaries are executed (bug #398437)
227 + [[ ${CHOST} = *-darwin* ]] && \
228 + extra+=" -DCMAKE_BUILD_WITH_INSTALL_RPATH=OFF"
229 +
230 + if use fftw; then
231 + fft_opts=( -DGMX_FFT_LIBRARY=fftw3 )
232 + elif use mkl && has_version "=sci-libs/mkl-10*"; then
233 + fft_opts=( -DGMX_FFT_LIBRARY=mkl
234 + -DMKL_INCLUDE_DIR="${MKLROOT}/include"
235 + -DMKL_LIBRARIES="$(echo /opt/intel/mkl/10.0.5.025/lib/*/libmkl.so);$(echo /opt/intel/mkl/10.0.5.025/lib/*/libiomp*.so)"
236 + )
237 + elif use mkl; then
238 + local bits=$(get_libdir)
239 + fft_opts=( -DGMX_FFT_LIBRARY=mkl
240 + -DMKL_INCLUDE_DIR="$(echo /opt/intel/*/mkl/include)"
241 + -DMKL_LIBRARIES="$(echo /opt/intel/*/mkl/lib/*${bits/lib}/libmkl_rt.so)"
242 + )
243 + else
244 + fft_opts=( -DGMX_FFT_LIBRARY=fftpack )
245 + fi
246 +
247 + if use lmfit; then
248 + local lmfit_opts=( -DGMX_USE_LMFIT=EXTERNAL )
249 + else
250 + local lmfit_opts=( -DGMX_USE_LMFIT=INTERNAL )
251 + fi
252 +
253 + mycmakeargs_pre+=(
254 + "${fft_opts[@]}"
255 + "${lmfit_opts[@]}"
256 + -DGMX_X11=$(usex X)
257 + -DGMX_EXTERNAL_BLAS=$(usex blas)
258 + -DGMX_EXTERNAL_LAPACK=$(usex lapack)
259 + -DGMX_OPENMP=$(usex openmp)
260 + -DGMX_COOL_QUOTES=$(usex offensive)
261 + -DGMX_USE_TNG=$(usex tng)
262 + -DGMX_BUILD_MANUAL=$(usex doc)
263 + -DGMX_HWLOC=$(usex hwloc)
264 + -DGMX_DEFAULT_SUFFIX=off
265 + -DGMX_SIMD="$acce"
266 + -DGMX_VMD_PLUGIN_PATH="${EPREFIX}/usr/$(get_libdir)/vmd/plugins/*/molfile/"
267 + -DBUILD_TESTING=$(usex test)
268 + -DGMX_BUILD_UNITTESTS=$(usex test)
269 + -DPYTHON_EXECUTABLE="${EPREFIX}/usr/bin/${EPYTHON}"
270 + ${extra}
271 + )
272 +
273 + for x in ${GMX_DIRS}; do
274 + einfo "Configuring for ${x} precision"
275 + local suffix=""
276 + #if we build single and double - double is suffixed
277 + use double-precision && use single-precision && \
278 + [[ ${x} = "double" ]] && suffix="_d"
279 + local p
280 + [[ ${x} = "double" ]] && p="-DGMX_DOUBLE=ON" || p="-DGMX_DOUBLE=OFF"
281 + local gpu=( "-DGMX_GPU=OFF" )
282 + [[ ${x} = "float" ]] && use cuda && gpu=( "-DGMX_GPU=CUDA" )
283 + use opencl && gpu=( "-DGMX_GPU=OPENCL" )
284 + mycmakeargs=(
285 + ${mycmakeargs_pre[@]} ${p}
286 + -DGMX_MPI=OFF
287 + -DGMX_THREAD_MPI=$(usex threads)
288 + -DGMXAPI=$(usex gmxapi)
289 + -DGMX_INSTALL_LEGACY_API=$(usex gmxapi-legacy)
290 + "${gpu[@]}"
291 + "$(use test && echo -DREGRESSIONTEST_PATH="${WORKDIR}/${P}_${x}/tests")"
292 + -DGMX_BINARY_SUFFIX="${suffix}"
293 + -DGMX_LIBS_SUFFIX="${suffix}"
294 + -DGMX_PYTHON_PACKAGE=$(usex python)
295 + )
296 + BUILD_DIR="${WORKDIR}/${P}_${x}" cmake_src_configure
297 + [[ ${CHOST} != *-darwin* ]] || \
298 + sed -i '/SET(CMAKE_INSTALL_NAME_DIR/s/^/#/' "${WORKDIR}/${P}_${x}/gentoo_rules.cmake" || die
299 + use mpi || continue
300 + einfo "Configuring for ${x} precision with mpi"
301 + mycmakeargs=(
302 + ${mycmakeargs_pre[@]} ${p}
303 + -DGMX_THREAD_MPI=OFF
304 + -DGMX_MPI=ON
305 + -DGMX_OPENMM=OFF
306 + -DGMXAPI=OFF
307 + "${opencl[@]}"
308 + "${cuda[@]}"
309 + -DGMX_BUILD_MDRUN_ONLY=ON
310 + -DBUILD_SHARED_LIBS=OFF
311 + -DGMX_BUILD_MANUAL=OFF
312 + -DGMX_BINARY_SUFFIX="_mpi${suffix}"
313 + -DGMX_LIBS_SUFFIX="_mpi${suffix}"
314 + )
315 + BUILD_DIR="${WORKDIR}/${P}_${x}_mpi" CC="mpicc" cmake_src_configure
316 + [[ ${CHOST} != *-darwin* ]] || \
317 + sed -i '/SET(CMAKE_INSTALL_NAME_DIR/s/^/#/' "${WORKDIR}/${P}_${x}_mpi/gentoo_rules.cmake" || die
318 + done
319 +}
320 +
321 +src_compile() {
322 + for x in ${GMX_DIRS}; do
323 + einfo "Compiling for ${x} precision"
324 + BUILD_DIR="${WORKDIR}/${P}_${x}"\
325 + cmake_src_compile
326 + if use python; then
327 + BUILD_DIR="${WORKDIR}/${P}_${x}"\
328 + cmake_src_compile python_packaging/all
329 + BUILD_DIR="${WORKDIR}/${P}" \
330 + distutils-r1_src_compile
331 + fi
332 + # not 100% necessary for rel ebuilds as available from website
333 + if use doc; then
334 + BUILD_DIR="${WORKDIR}/${P}_${x}"\
335 + cmake_src_compile manual
336 + fi
337 + use mpi || continue
338 + einfo "Compiling for ${x} precision with mpi"
339 + BUILD_DIR="${WORKDIR}/${P}_${x}_mpi"\
340 + cmake_src_compile
341 + done
342 +}
343 +
344 +src_test() {
345 + for x in ${GMX_DIRS}; do
346 + BUILD_DIR="${WORKDIR}/${P}_${x}"\
347 + cmake_src_compile check
348 + done
349 +}
350 +
351 +src_install() {
352 + for x in ${GMX_DIRS}; do
353 + BUILD_DIR="${WORKDIR}/${P}_${x}" \
354 + cmake_src_install
355 + if use python; then
356 + BUILD_DIR="${WORKDIR}/${P}_${x}" \
357 + cmake_src_install python_packaging/install
358 + fi
359 + if use doc; then
360 + newdoc "${WORKDIR}/${P}_${x}"/docs/manual/gromacs.pdf "${PN}-manual-${PV}.pdf"
361 + fi
362 + use mpi || continue
363 + BUILD_DIR="${WORKDIR}/${P}_${x}_mpi" \
364 + cmake_src_install
365 + done
366 +
367 + if use tng; then
368 + insinto /usr/include/tng
369 + doins src/external/tng_io/include/tng/*h
370 + fi
371 + # drop unneeded stuff
372 + rm "${ED}"/usr/bin/GMXRC* || die
373 + for x in "${ED}"/usr/bin/gmx-completion-*.bash ; do
374 + local n=${x##*/gmx-completion-}
375 + n="${n%.bash}"
376 + cat "${ED}"/usr/bin/gmx-completion.bash "$x" > "${T}/${n}" || die
377 + newbashcomp "${T}"/"${n}" "${n}"
378 + done
379 + rm "${ED}"/usr/bin/gmx-completion*.bash || die
380 + readme.gentoo_create_doc
381 +}
382 +
383 +pkg_postinst() {
384 + einfo
385 + einfo "Please read and cite:"
386 + einfo "Gromacs 4, J. Chem. Theory Comput. 4, 435 (2008). "
387 + einfo "https://dx.doi.org/10.1021/ct700301q"
388 + einfo
389 + readme.gentoo_print_elog
390 +}