Gentoo Archives: gentoo-commits

From: Christoph Junghans <ottxor@g.o>
To: gentoo-commits@l.g.o
Subject: [gentoo-commits] proj/sci:master commit in: sci-chemistry/gromacs/
Date: Sat, 31 Jan 2015 20:19:32
Message-Id: 1422735422.4bb4e72ee1217167a37c0f89e51d0df4f90ab94e.ottxor@gentoo
1 commit: 4bb4e72ee1217167a37c0f89e51d0df4f90ab94e
2 Author: Christoph Junghans <ottxor <AT> gentoo <DOT> org>
3 AuthorDate: Sat Jan 31 20:17:02 2015 +0000
4 Commit: Christoph Junghans <ottxor <AT> gentoo <DOT> org>
5 CommitDate: Sat Jan 31 20:17:02 2015 +0000
6 URL: http://sources.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=4bb4e72e
7
8 Switch to CPU_FLAGS_X86 (bug #538268)
9
10 Package-Manager: portage-2.2.14
11
12 ---
13 sci-chemistry/gromacs/ChangeLog | 6 +++++-
14 sci-chemistry/gromacs/gromacs-4.6.9999.ebuild | 12 ++++++------
15 sci-chemistry/gromacs/gromacs-5.0.9999.ebuild | 14 +++++++-------
16 sci-chemistry/gromacs/gromacs-9999.ebuild | 14 +++++++-------
17 sci-chemistry/gromacs/metadata.xml | 6 ------
18 5 files changed, 25 insertions(+), 27 deletions(-)
19
20 diff --git a/sci-chemistry/gromacs/ChangeLog b/sci-chemistry/gromacs/ChangeLog
21 index da2baae..5acf30f 100644
22 --- a/sci-chemistry/gromacs/ChangeLog
23 +++ b/sci-chemistry/gromacs/ChangeLog
24 @@ -1,7 +1,11 @@
25 # ChangeLog for sci-chemistry/gromacs
26 -# Copyright 1999-2014 Gentoo Foundation; Distributed under the GPL v2
27 +# Copyright 1999-2015 Gentoo Foundation; Distributed under the GPL v2
28 # $Header: $
29
30 + 31 Jan 2015; Christoph Junghans <ottxor@g.o> gromacs-4.6.9999.ebuild,
31 + gromacs-5.0.9999.ebuild, gromacs-9999.ebuild, metadata.xml:
32 + Switch to CPU_FLAGS_X86 (bug #538268)
33 +
34 21 Dec 2014; Christoph Junghans <ottxor@g.o> gromacs-5.0.9999.ebuild:
35 sync with gx86
36
37
38 diff --git a/sci-chemistry/gromacs/gromacs-4.6.9999.ebuild b/sci-chemistry/gromacs/gromacs-4.6.9999.ebuild
39 index 2865833..e8ac17c 100644
40 --- a/sci-chemistry/gromacs/gromacs-4.6.9999.ebuild
41 +++ b/sci-chemistry/gromacs/gromacs-4.6.9999.ebuild
42 @@ -1,4 +1,4 @@
43 -# Copyright 1999-2014 Gentoo Foundation
44 +# Copyright 1999-2015 Gentoo Foundation
45 # Distributed under the terms of the GNU General Public License v2
46 # $Header: $
47
48 @@ -34,7 +34,7 @@ else
49 KEYWORDS="~alpha ~amd64 ~arm ~ppc64 ~sparc ~x86 ~amd64-linux ~x86-linux ~x86-macos"
50 fi
51
52 -ACCE_IUSE="sse2 sse4_1 avx128fma avx256"
53 +ACCE_IUSE="cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx"
54
55 DESCRIPTION="The ultimate molecular dynamics simulation package"
56 HOMEPAGE="http://www.gromacs.org/"
57 @@ -131,10 +131,10 @@ src_configure() {
58
59 #go from slowest to fastest acceleration
60 local acce="None"
61 - use sse2 && acce="SSE2"
62 - use sse4_1 && acce="SSE4.1"
63 - use avx128fma && acce="AVX_128_FMA"
64 - use avx256 && acce="AVX_256"
65 + use cpu_flags_x86_sse2 && acce="SSE2"
66 + use cpu_flags_x86_sse4_1 && acce="SSE4.1"
67 + use cpu_flags_x86_fma4 && acce="AVX_128_FMA"
68 + use cpu_flags_x86_avx && acce="AVX_256"
69
70 #to create man pages, build tree binaries are executed (bug #398437)
71 [[ ${CHOST} = *-darwin* ]] && \
72
73 diff --git a/sci-chemistry/gromacs/gromacs-5.0.9999.ebuild b/sci-chemistry/gromacs/gromacs-5.0.9999.ebuild
74 index 210ceef..f338fd5 100644
75 --- a/sci-chemistry/gromacs/gromacs-5.0.9999.ebuild
76 +++ b/sci-chemistry/gromacs/gromacs-5.0.9999.ebuild
77 @@ -1,4 +1,4 @@
78 -# Copyright 1999-2014 Gentoo Foundation
79 +# Copyright 1999-2015 Gentoo Foundation
80 # Distributed under the terms of the GNU General Public License v2
81 # $Header: $
82
83 @@ -22,7 +22,7 @@ else
84 KEYWORDS="~alpha ~amd64 ~arm ~ppc64 ~sparc ~x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-macos"
85 fi
86
87 -ACCE_IUSE="sse2 sse4_1 avx_128_fma avx_256 avx2_256"
88 +ACCE_IUSE="cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2"
89
90 DESCRIPTION="The ultimate molecular dynamics simulation package"
91 HOMEPAGE="http://www.gromacs.org/"
92 @@ -116,11 +116,11 @@ src_configure() {
93
94 #go from slowest to fastest acceleration
95 local acce="None"
96 - use sse2 && acce="SSE2"
97 - use sse4_1 && acce="SSE4.1"
98 - use avx_128_fma && acce="AVX_128_FMA"
99 - use avx_256 && acce="AVX_256"
100 - use avx2_256 && acce="AVX2_256"
101 + use cpu_flags_x86_sse2 && acce="SSE2"
102 + use cpu_flags_x86_sse4_1 && acce="SSE4.1"
103 + use cpu_flags_x86_fma4 && acce="AVX_128_FMA"
104 + use cpu_flags_x86_avx && acce="AVX_256"
105 + use cpu_flags_x86_avx2 && acce="AVX2_256"
106
107 #to create man pages, build tree binaries are executed (bug #398437)
108 [[ ${CHOST} = *-darwin* ]] && \
109
110 diff --git a/sci-chemistry/gromacs/gromacs-9999.ebuild b/sci-chemistry/gromacs/gromacs-9999.ebuild
111 index 2c3fbe7..b50184a 100644
112 --- a/sci-chemistry/gromacs/gromacs-9999.ebuild
113 +++ b/sci-chemistry/gromacs/gromacs-9999.ebuild
114 @@ -1,4 +1,4 @@
115 -# Copyright 1999-2014 Gentoo Foundation
116 +# Copyright 1999-2015 Gentoo Foundation
117 # Distributed under the terms of the GNU General Public License v2
118 # $Header: $
119
120 @@ -22,7 +22,7 @@ else
121 test? ( http://gerrit.gromacs.org/download/regressiontests-${TEST_PV}.tar.gz )"
122 fi
123
124 -ACCE_IUSE="sse2 sse4_1 avx_128_fma avx_256 avx2_256"
125 +ACCE_IUSE="cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2"
126
127 DESCRIPTION="The ultimate molecular dynamics simulation package"
128 HOMEPAGE="http://www.gromacs.org/"
129 @@ -117,11 +117,11 @@ src_configure() {
130
131 #go from slowest to fastest acceleration
132 local acce="None"
133 - use sse2 && acce="SSE2"
134 - use sse4_1 && acce="SSE4.1"
135 - use avx_128_fma && acce="AVX_128_FMA"
136 - use avx_256 && acce="AVX_256"
137 - use avx2_256 && acce="AVX2_256"
138 + use cpu_flags_x86_sse2 && acce="SSE2"
139 + use cpu_flags_x86_sse4_1 && acce="SSE4.1"
140 + use cpu_flags_x86_fma4 && acce="AVX_128_FMA"
141 + use cpu_flags_x86_avx && acce="AVX_256"
142 + use cpu_flags_x86_avx2 && acce="AVX2_256"
143
144 #to create man pages, build tree binaries are executed (bug #398437)
145 [[ ${CHOST} = *-darwin* ]] && \
146
147 diff --git a/sci-chemistry/gromacs/metadata.xml b/sci-chemistry/gromacs/metadata.xml
148 index 87e0f0a..8a5c745 100644
149 --- a/sci-chemistry/gromacs/metadata.xml
150 +++ b/sci-chemistry/gromacs/metadata.xml
151 @@ -14,12 +14,6 @@
152 <flag name="tng">Enable new trajectory format - tng</flag>
153 <flag name="make-symlinks">Create symbolic links for pre-5.0 binary names</flag>
154 <!-- acceleration optimization flags -->
155 - <flag name="sse4_1">Enable sse4.1 acceleration</flag>
156 - <flag name="avx128fma">Enable 128bit avx with fma (e.g. AMD BullDozer)</flag>
157 - <flag name="avx_128_fma">Enable 128bit avx with fma (e.g. AMD BullDozer)</flag>
158 - <flag name="avx256">Enable 256bit avx (e.g. Intel Sandy Bridge)</flag>
159 - <flag name="avx_256">Enable 256bit avx (e.g. Intel Sandy Bridge)</flag>
160 - <flag name="avx2_256">Enable 256bit avx2 (e.g. Intel Haswell)</flag>
161 <flag name="offensive">Enable gromacs partly offensive quotes</flag>
162 <flag name="openmm">Add acceleration through <pkg>sci-libs/openmm</pkg></flag>
163 <flag name="mkl">Use <pkg>sci-libs/mkl</pkg> for fft, blas, lapack routines</flag>