Gentoo Archives: gentoo-commits

From: Christoph Junghans <kleiner_otti@×××.de>
To: gentoo-commits@l.g.o
Subject: [gentoo-commits] proj/sci:master commit in: sci-chemistry/gromacs/
Date: Sat, 29 Dec 2012 23:00:05
Message-Id: 1356821654.bccb1a9f8ddaa2dc32b48578280c0b10cc6a50ef.kleiner_otti@gentoo
1 commit: bccb1a9f8ddaa2dc32b48578280c0b10cc6a50ef
2 Author: Christoph Junghans <ottxor <AT> gentoo <DOT> org>
3 AuthorDate: Sat Dec 29 22:54:14 2012 +0000
4 Commit: Christoph Junghans <kleiner_otti <AT> gmx <DOT> de>
5 CommitDate: Sat Dec 29 22:54:14 2012 +0000
6 URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=bccb1a9f
7
8 fixed build with newer mkl
9
10 Package-Manager: portage-2.2.0_alpha149
11
12 ---
13 sci-chemistry/gromacs/ChangeLog | 3 +++
14 sci-chemistry/gromacs/gromacs-4.6.9999.ebuild | 8 +++++++-
15 2 files changed, 10 insertions(+), 1 deletions(-)
16
17 diff --git a/sci-chemistry/gromacs/ChangeLog b/sci-chemistry/gromacs/ChangeLog
18 index c2c3f21..2c7bfe2 100644
19 --- a/sci-chemistry/gromacs/ChangeLog
20 +++ b/sci-chemistry/gromacs/ChangeLog
21 @@ -2,6 +2,9 @@
22 # Copyright 1999-2012 Gentoo Foundation; Distributed under the GPL v2
23 # $Header: $
24
25 + 29 Dec 2012; Christoph Junghans <ottxor@g.o> gromacs-4.6.9999.ebuild:
26 + fixed build with newer mkl
27 +
28 27 Dec 2012; Christoph Junghans <ottxor@g.o> gromacs-4.6.9999.ebuild:
29 sci-chemistry/gromacs: clean up
30
31
32 diff --git a/sci-chemistry/gromacs/gromacs-4.6.9999.ebuild b/sci-chemistry/gromacs/gromacs-4.6.9999.ebuild
33 index 8e13d99..94dbbdd 100644
34 --- a/sci-chemistry/gromacs/gromacs-4.6.9999.ebuild
35 +++ b/sci-chemistry/gromacs/gromacs-4.6.9999.ebuild
36 @@ -105,11 +105,17 @@ src_configure() {
37
38 if use fftw; then
39 fft_opts=( -DGMX_FFT_LIBRARY=fftw3 )
40 - elif use mkl; then
41 + elif use mkl && has_version "=sci-libs/mkl-10*"; then
42 fft_opts=( -DGMX_FFT_LIBRARY=mkl
43 -DMKL_INCLUDE_DIR="${MKLROOT}/include"
44 -DMKL_LIBRARIES="$(echo /opt/intel/mkl/10.0.5.025/lib/*/libmkl.so);$(echo /opt/intel/mkl/10.0.5.025/lib/*/libiomp*.so)"
45 )
46 + elif use mkl; then
47 + local bits=$(get_libdir)
48 + fft_opts=( -DGMX_FFT_LIBRARY=mkl
49 + -DMKL_INCLUDE_DIR="$(echo /opt/intel/*/mkl/include)"
50 + -DMKL_LIBRARIES="$(echo /opt/intel/*/mkl/lib/*${bits/lib}/libmkl_rt.so)"
51 + )
52 else
53 fft_opts=( -DGMX_FFT_LIBRARY=fftpack )
54 fi