Gentoo Archives: gentoo-commits

From: Justin Lecher <jlec@g.o>
To: gentoo-commits@l.g.o
Subject: [gentoo-commits] proj/sci:master commit in: sci-chemistry/gromacs/
Date: Sat, 07 Dec 2013 16:22:36
Message-Id: 1386433319.bf9b101c4cffb2f90ca820beba0a16b069250198.jlec@gentoo
1 commit: bf9b101c4cffb2f90ca820beba0a16b069250198
2 Author: Justin Lecher <jlec <AT> gentoo <DOT> org>
3 AuthorDate: Sat Dec 7 16:21:59 2013 +0000
4 Commit: Justin Lecher <jlec <AT> gentoo <DOT> org>
5 CommitDate: Sat Dec 7 16:21:59 2013 +0000
6 URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=bf9b101c
7
8 sci-chemistry/gromacs: Fix multilib-strict problems
9
10 Package-Manager: portage-2.2.7
11
12 ---
13 sci-chemistry/gromacs/ChangeLog | 4 +++
14 sci-chemistry/gromacs/gromacs-5.0_beta1.ebuild | 11 +++++----
15 sci-chemistry/gromacs/metadata.xml | 34 +++++++++++++-------------
16 3 files changed, 27 insertions(+), 22 deletions(-)
17
18 diff --git a/sci-chemistry/gromacs/ChangeLog b/sci-chemistry/gromacs/ChangeLog
19 index 4c5ac13..0688eb6 100644
20 --- a/sci-chemistry/gromacs/ChangeLog
21 +++ b/sci-chemistry/gromacs/ChangeLog
22 @@ -2,6 +2,10 @@
23 # Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2
24 # $Header: $
25
26 + 07 Dec 2013; Justin Lecher <jlec@g.o> gromacs-5.0_beta1.ebuild,
27 + metadata.xml:
28 + Fix multilib-strict problems
29 +
30 *gromacs-5.0_beta1 (06 Dec 2013)
31
32 06 Dec 2013; Alexey Shvetsov <alexxy@g.o> +gromacs-5.0_beta1.ebuild,
33
34 diff --git a/sci-chemistry/gromacs/gromacs-5.0_beta1.ebuild b/sci-chemistry/gromacs/gromacs-5.0_beta1.ebuild
35 index 81ed0cc..a60490f 100644
36 --- a/sci-chemistry/gromacs/gromacs-5.0_beta1.ebuild
37 +++ b/sci-chemistry/gromacs/gromacs-5.0_beta1.ebuild
38 @@ -160,6 +160,7 @@ src_configure() {
39 -DGMX_USE_GCC44_BUG_WORKAROUND=OFF
40 -DBUILD_TESTING=OFF
41 -DGMX_BUILD_UNITTESTS=OFF
42 + -DGMX_LIB_INSTALL_DIR=$(get_libdir)
43 ${extra}
44 )
45
46 @@ -241,18 +242,18 @@ src_install() {
47 insinto /usr/share/zsh/site-functions
48 newins "${ED}"/usr/bin/completion.zsh _${PN}
49 fi
50 - rm -f "${ED}"usr/bin/completion.*
51 - rm -f "${ED}"usr/bin/g_options*
52 - rm -f "${ED}"usr/bin/GMXRC*
53 + rm -f "${ED}"usr/bin/completion.* || die
54 + rm -f "${ED}"usr/bin/g_options* || die
55 + rm -f "${ED}"usr/bin/GMXRC* || die
56
57 readme.gentoo_create_doc
58 }
59
60 pkg_postinst() {
61 - einfo
62 + echo
63 einfo "Please read and cite:"
64 einfo "Gromacs 4, J. Chem. Theory Comput. 4, 435 (2008). "
65 einfo "http://dx.doi.org/10.1021/ct700301q"
66 - einfo
67 + echo
68 readme.gentoo_print_elog
69 }
70
71 diff --git a/sci-chemistry/gromacs/metadata.xml b/sci-chemistry/gromacs/metadata.xml
72 index 880233e..49684a9 100644
73 --- a/sci-chemistry/gromacs/metadata.xml
74 +++ b/sci-chemistry/gromacs/metadata.xml
75 @@ -1,21 +1,21 @@
76 <?xml version="1.0" encoding="UTF-8"?>
77 <!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
78 <pkgmetadata>
79 - <herd>sci-chemistry</herd>
80 - <maintainer>
81 - <email>ottxor@g.o</email>
82 - <name>Christoph Junghans</name>
83 - </maintainer>
84 - <use>
85 - <flag name="cuda">Enable cuda non-bonded kernels</flag>
86 - <flag name="double-precision">More precise calculations at the expense of speed</flag>
87 - <flag name="single-precision">Single precision version of gromacs (default)</flag>
88 - <!-- acceleration optimization flags -->
89 - <flag name="sse4_1">Enable sse4.1 acceleration</flag>
90 - <flag name="avx128fma">Enable 128bit avx with fma (e.g. AMD BullDozer)</flag>
91 - <flag name="avx256">Enable 256bit avx (e.g. Intel Sandy Bridge)</flag>
92 - <flag name="offensive">Enable gromacs partly offensive quotes</flag>
93 - <flag name="openmm">Add acceleration through <pkg>sci-libs/openmm</pkg></flag>
94 - <flag name="mkl">Use <pkg>sci-libs/mkl</pkg> for fft, blas, lapack routines</flag>
95 - </use>
96 + <herd>sci-chemistry</herd>
97 + <maintainer>
98 + <email>ottxor@g.o</email>
99 + <name>Christoph Junghans</name>
100 + </maintainer>
101 + <use>
102 + <flag name="cuda">Enable cuda non-bonded kernels</flag>
103 + <flag name="double-precision">More precise calculations at the expense of speed</flag>
104 + <flag name="single-precision">Single precision version of gromacs (default)</flag>
105 + <!-- acceleration optimization flags -->
106 + <flag name="sse4_1">Enable sse4.1 acceleration</flag>
107 + <flag name="avx128fma">Enable 128bit avx with fma (e.g. AMD BullDozer)</flag>
108 + <flag name="avx256">Enable 256bit avx (e.g. Intel Sandy Bridge)</flag>
109 + <flag name="offensive">Enable gromacs partly offensive quotes</flag>
110 + <flag name="openmm">Add acceleration through <pkg>sci-libs/openmm</pkg></flag>
111 + <flag name="mkl">Use <pkg>sci-libs/mkl</pkg> for fft, blas, lapack routines</flag>
112 + </use>
113 </pkgmetadata>