Gentoo Archives: gentoo-commits

From: Alexey Shvetsov <alexxy@g.o>
To: gentoo-commits@l.g.o
Subject: [gentoo-commits] proj/sci:master commit in: sci-chemistry/gromacs/
Date: Thu, 05 Dec 2013 03:41:09
Message-Id: 1386214786.4aecc817114c313401f89857baf12b4b5959d6cd.alexxy@gentoo
1 commit: 4aecc817114c313401f89857baf12b4b5959d6cd
2 Author: Alexey Shvetsov <alexxy <AT> gentoo <DOT> org>
3 AuthorDate: Thu Dec 5 03:39:46 2013 +0000
4 Commit: Alexey Shvetsov <alexxy <AT> gentoo <DOT> org>
5 CommitDate: Thu Dec 5 03:39:46 2013 +0000
6 URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=4aecc817
7
8 Update live ebuild to current state
9
10 Package-Manager: portage-2.2.7
11
12 ---
13 sci-chemistry/gromacs/ChangeLog | 3 ++
14 sci-chemistry/gromacs/gromacs-9999.ebuild | 62 +++++++++++++++----------------
15 2 files changed, 33 insertions(+), 32 deletions(-)
16
17 diff --git a/sci-chemistry/gromacs/ChangeLog b/sci-chemistry/gromacs/ChangeLog
18 index eb2cc95..732b917 100644
19 --- a/sci-chemistry/gromacs/ChangeLog
20 +++ b/sci-chemistry/gromacs/ChangeLog
21 @@ -2,6 +2,9 @@
22 # Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2
23 # $Header: $
24
25 + 05 Dec 2013; Alexey Shvetsov <alexxy@g.o> gromacs-9999.ebuild:
26 + Update live ebuild to current state
27 +
28 03 Dec 2013; Alexey Shvetsov <alexxy@g.o> gromacs-9999.ebuild:
29 make mdrun target work for gmx live
30
31
32 diff --git a/sci-chemistry/gromacs/gromacs-9999.ebuild b/sci-chemistry/gromacs/gromacs-9999.ebuild
33 index 1a6d1ef..080c1cb 100644
34 --- a/sci-chemistry/gromacs/gromacs-9999.ebuild
35 +++ b/sci-chemistry/gromacs/gromacs-9999.ebuild
36 @@ -18,17 +18,10 @@ if [[ $PV = *9999* ]]; then
37 http://repo.or.cz/r/gromacs.git"
38 EGIT_BRANCH="master"
39 inherit git-2
40 - LIVE_DEPEND="doc? (
41 - dev-texlive/texlive-latex
42 - dev-texlive/texlive-latexextra
43 - media-gfx/imagemagick
44 - sys-apps/coreutils
45 - )"
46 else
47 SRC_URI="ftp://ftp.gromacs.org/pub/${PN}/${P}.tar.gz
48 doc? ( ftp://ftp.gromacs.org/pub/manual/manual-${MANUAL_PV}.pdf -> ${PN}-manual-${MANUAL_PV}.pdf )
49 test? ( http://${PN}.googlecode.com/files/regressiontests-${TEST_PV}.tar.gz )"
50 - LIVE_DEPEND=""
51 fi
52
53 ACCE_IUSE="sse2 sse4_1 avx128fma avx256"
54 @@ -42,7 +35,7 @@ HOMEPAGE="http://www.gromacs.org/"
55 LICENSE="LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )"
56 SLOT="0/${PV}"
57 KEYWORDS="~alpha ~amd64 ~arm ~ppc64 ~sparc ~x86 ~amd64-linux ~x86-linux ~x86-macos"
58 -IUSE="X blas cuda doc -double-precision +fftw gsl lapack mkl mpi +offensive openmp +single-precision test +threads zsh-completion ${ACCE_IUSE}"
59 +IUSE="X blas cuda +doc -double-precision +fftw gsl lapack mkl mpi +offensive openmp +single-precision test +threads zsh-completion ${ACCE_IUSE}"
60
61 CDEPEND="
62 X? (
63 @@ -60,7 +53,11 @@ CDEPEND="
64 "
65 DEPEND="${CDEPEND}
66 virtual/pkgconfig
67 - ${LIVE_DEPEND}"
68 + doc? (
69 + dev-texlive/texlive-latex
70 + dev-texlive/texlive-latexextra
71 + media-gfx/imagemagick
72 + )"
73 RDEPEND="${CDEPEND}"
74
75 REQUIRED_USE="
76 @@ -82,12 +79,6 @@ src_unpack() {
77 default
78 else
79 git-2_src_unpack
80 - if use doc; then
81 - EGIT_REPO_URI="git://git.gromacs.org/manual.git" \
82 - EGIT_BRANCH="release-4-6" EGIT_NOUNPACK="yes" EGIT_COMMIT="release-4-6" \
83 - EGIT_SOURCEDIR="${WORKDIR}/manual"\
84 - git-2_src_unpack
85 - fi
86 if use test; then
87 EGIT_REPO_URI="git://git.gromacs.org/regressiontests.git" \
88 EGIT_BRANCH="master" EGIT_NOUNPACK="yes" EGIT_COMMIT="master" \
89 @@ -158,6 +149,7 @@ src_configure() {
90 $(cmake-utils_use lapack GMX_EXTERNAL_LAPACK)
91 $(cmake-utils_use openmp GMX_OPENMP)
92 $(cmake-utils_use offensive GMX_COOL_QUOTES)
93 + $(cmake-utils_use doc GMX_BUILD_MANUAL)
94 -DGMX_DEFAULT_SUFFIX=off
95 -DGMX_ACCELERATION="$acce"
96 -DGMXLIB="$(get_libdir)"
97 @@ -165,6 +157,8 @@ src_configure() {
98 -DGMX_PREFIX_LIBMD=ON
99 -DGMX_X86_AVX_GCC_MASKLOAD_BUG=OFF
100 -DGMX_USE_GCC44_BUG_WORKAROUND=OFF
101 + -DBUILD_TESTING=OFF
102 + -DGMX_BUILD_UNITTESTS=OFF
103 ${extra}
104 )
105
106 @@ -179,16 +173,29 @@ src_configure() {
107 local cuda=( "-DGMX_GPU=OFF" )
108 [[ ${x} = "float" ]] && use cuda && \
109 cuda=( -DGMX_GPU=ON )
110 - mycmakeargs=( ${mycmakeargs_pre[@]} ${p} -DGMX_MPI=OFF
111 - $(cmake-utils_use threads GMX_THREAD_MPI) "${cuda[@]}" -DGMX_OPENMM=OFF
112 + mycmakeargs=(
113 + ${mycmakeargs_pre[@]} ${p}
114 + -DGMX_MPI=OFF
115 + $(cmake-utils_use threads GMX_THREAD_MPI)
116 + "${cuda[@]}"
117 + -DGMX_OPENMM=OFF
118 "$(use test && echo -DREGRESSIONTEST_PATH="${WORKDIR}/${P}_${x}/tests")"
119 - -DGMX_BINARY_SUFFIX="${suffix}" -DGMX_LIBS_SUFFIX="${suffix}" )
120 + -DGMX_BINARY_SUFFIX="${suffix}"
121 + -DGMX_LIBS_SUFFIX="${suffix}"
122 + )
123 BUILD_DIR="${WORKDIR}/${P}_${x}" cmake-utils_src_configure
124 use mpi || continue
125 einfo "Configuring for ${x} precision with mpi"
126 - mycmakeargs=( ${mycmakeargs_pre[@]} ${p} -DGMX_THREAD_MPI=OFF
127 - -DGMX_MPI=ON ${cuda} -DGMX_OPENMM=OFF -DGMX_BUILD_MDRUN_ONLY=ON
128 - -DGMX_BINARY_SUFFIX="_mpi${suffix}" -DGMX_LIBS_SUFFIX="_mpi${suffix}" )
129 + mycmakeargs=(
130 + ${mycmakeargs_pre[@]} ${p}
131 + -DGMX_THREAD_MPI=OFF
132 + -DGMX_MPI=ON ${cuda}
133 + -DGMX_OPENMM=OFF
134 + -DGMX_BUILD_MDRUN_ONLY=ON
135 + -DGMX_BUILD_MANUAL=OFF
136 + -DGMX_BINARY_SUFFIX="_mpi${suffix}"
137 + -DGMX_LIBS_SUFFIX="_mpi${suffix}"
138 + )
139 BUILD_DIR="${WORKDIR}/${P}_${x}_mpi" CC="mpicc" cmake-utils_src_configure
140 done
141 }
142 @@ -216,23 +223,14 @@ src_install() {
143 for x in ${GMX_DIRS}; do
144 BUILD_DIR="${WORKDIR}/${P}_${x}" \
145 cmake-utils_src_install
146 - #manual can only be build after gromacs was installed once in image
147 - if use doc && [[ $PV = *9999* && ! -d ${WORKDIR}/manual_build ]]; then
148 - mycmakeargs=( -DGMXBIN="${ED}"/usr/bin -DGMXSRC="${WORKDIR}/${P}" )
149 - BUILD_DIR="${WORKDIR}"/manual_build \
150 - CMAKE_USE_DIR="${WORKDIR}/manual" cmake-utils_src_configure
151 - [[ ${CHOST} = *-darwin* ]] && \
152 - export DYLD_LIBRARY_PATH="${DYLD_LIBRARY_PATH}${DYLD_LIBRARY_PATH:+:}${ED}/usr/$(get_libdir)"
153 - BUILD_DIR="${WORKDIR}"/manual_build cmake-utils_src_make
154 - [[ ${CHOST} = *-darwin* ]] && DYLD_LIBRARY_PATH="${ED}/usr/$(get_libdir)"
155 - newdoc "${WORKDIR}"/manual_build/gromacs.pdf "${PN}-manual-${PV}.pdf"
156 + if use doc; then
157 + newdoc "${WORKDIR}"/manual/gromacs.pdf "${PN}-manual-${PV}.pdf"
158 fi
159 use mpi || continue
160 BUILD_DIR="${WORKDIR}/${P}_${x}_mpi" \
161 cmake-utils_src_install
162 done
163
164 - use doc && [[ $PV != *9999* ]] && dodoc "${DISTDIR}/${PN}-manual-${MANUAL_PV}.pdf"
165 newbashcomp "${ED}"/usr/bin/completion.bash ${PN}
166 if use zsh-completion ; then
167 insinto /usr/share/zsh/site-functions