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: Tue, 03 Dec 2013 04:47:51
Message-Id: 1386046024.d7eafeaa9dc3c544754f9ca3f8426d1a4b40faaa.alexxy@gentoo
1 commit: d7eafeaa9dc3c544754f9ca3f8426d1a4b40faaa
2 Author: Alexey Shvetsov <alexxy <AT> gentoo <DOT> org>
3 AuthorDate: Tue Dec 3 04:47:04 2013 +0000
4 Commit: Alexey Shvetsov <alexxy <AT> gentoo <DOT> org>
5 CommitDate: Tue Dec 3 04:47:04 2013 +0000
6 URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=d7eafeaa
7
8 make mdrun target work for gmx live
9
10 Package-Manager: portage-2.2.7
11
12 ---
13 sci-chemistry/gromacs/ChangeLog | 3 +++
14 sci-chemistry/gromacs/gromacs-9999.ebuild | 6 +++---
15 2 files changed, 6 insertions(+), 3 deletions(-)
16
17 diff --git a/sci-chemistry/gromacs/ChangeLog b/sci-chemistry/gromacs/ChangeLog
18 index e4f8243..eb2cc95 100644
19 --- a/sci-chemistry/gromacs/ChangeLog
20 +++ b/sci-chemistry/gromacs/ChangeLog
21 @@ -3,6 +3,9 @@
22 # $Header: $
23
24 03 Dec 2013; Alexey Shvetsov <alexxy@g.o> gromacs-9999.ebuild:
25 + make mdrun target work for gmx live
26 +
27 + 03 Dec 2013; Alexey Shvetsov <alexxy@g.o> gromacs-9999.ebuild:
28 More updates #2 to gmx live
29
30 03 Dec 2013; Alexey Shvetsov <alexxy@g.o> gromacs-9999.ebuild:
31
32 diff --git a/sci-chemistry/gromacs/gromacs-9999.ebuild b/sci-chemistry/gromacs/gromacs-9999.ebuild
33 index 02ecef6..1a6d1ef 100644
34 --- a/sci-chemistry/gromacs/gromacs-9999.ebuild
35 +++ b/sci-chemistry/gromacs/gromacs-9999.ebuild
36 @@ -187,7 +187,7 @@ src_configure() {
37 use mpi || continue
38 einfo "Configuring for ${x} precision with mpi"
39 mycmakeargs=( ${mycmakeargs_pre[@]} ${p} -DGMX_THREAD_MPI=OFF
40 - -DGMX_MPI=ON ${cuda} -DGMX_OPENMM=OFF
41 + -DGMX_MPI=ON ${cuda} -DGMX_OPENMM=OFF -DGMX_BUILD_MDRUN_ONLY=ON
42 -DGMX_BINARY_SUFFIX="_mpi${suffix}" -DGMX_LIBS_SUFFIX="_mpi${suffix}" )
43 BUILD_DIR="${WORKDIR}/${P}_${x}_mpi" CC="mpicc" cmake-utils_src_configure
44 done
45 @@ -201,7 +201,7 @@ src_compile() {
46 use mpi || continue
47 einfo "Compiling for ${x} precision with mpi"
48 BUILD_DIR="${WORKDIR}/${P}_${x}_mpi"\
49 - cmake-utils_src_compile mdrun
50 + cmake-utils_src_compile
51 done
52 }
53
54 @@ -229,7 +229,7 @@ src_install() {
55 fi
56 use mpi || continue
57 BUILD_DIR="${WORKDIR}/${P}_${x}_mpi" \
58 - DESTDIR="${D}" cmake-utils_src_make install-mdrun
59 + cmake-utils_src_install
60 done
61
62 use doc && [[ $PV != *9999* ]] && dodoc "${DISTDIR}/${PN}-manual-${MANUAL_PV}.pdf"