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| author | miwi <miwi@FreeBSD.org> | 2013-06-04 16:19:33 +0800 |
|---|---|---|
| committer | miwi <miwi@FreeBSD.org> | 2013-06-04 16:19:33 +0800 |
| commit | 0fca080abf2625065dc986d5cc8a9317c2b5a674 (patch) | |
| tree | 720eeac3c7de3bf3f98876d0045553e4cdc35e68 /science/gromacs | |
| parent | 4256b4b499bad84464edb00b67ee00f5903b8254 (diff) | |
| download | freebsd-ports-gnome-0fca080abf2625065dc986d5cc8a9317c2b5a674.tar.gz freebsd-ports-gnome-0fca080abf2625065dc986d5cc8a9317c2b5a674.tar.zst freebsd-ports-gnome-0fca080abf2625065dc986d5cc8a9317c2b5a674.zip | |
- Update to 4.6.2
PR: 179208
Submitted by: Ports Fury
Diffstat (limited to 'science/gromacs')
| -rw-r--r-- | science/gromacs/Makefile | 2 | ||||
| -rw-r--r-- | science/gromacs/distinfo | 4 | ||||
| -rw-r--r-- | science/gromacs/files/patch-src__gmxlib__thread_mpi__atomic.c | 17 | ||||
| -rw-r--r-- | science/gromacs/pkg-plist | 24 |
4 files changed, 44 insertions, 3 deletions
diff --git a/science/gromacs/Makefile b/science/gromacs/Makefile index b73828e3e11b..740e3387fd38 100644 --- a/science/gromacs/Makefile +++ b/science/gromacs/Makefile @@ -2,7 +2,7 @@ # $FreeBSD$ PORTNAME= gromacs -PORTVERSION= 4.6.1 +PORTVERSION= 4.6.2 CATEGORIES= science MASTER_SITES= ftp://ftp.gromacs.org/pub/gromacs/ diff --git a/science/gromacs/distinfo b/science/gromacs/distinfo index 200af9e5de96..cd00132853d0 100644 --- a/science/gromacs/distinfo +++ b/science/gromacs/distinfo @@ -1,2 +1,2 @@ -SHA256 (gromacs-4.6.1.tar.gz) = a0514b2a04ecac7461a67fc8edefa2b8eeaf22a25cd61c3348042dd077b077e6 -SIZE (gromacs-4.6.1.tar.gz) = 9975315 +SHA256 (gromacs-4.6.2.tar.gz) = 7bcccd15f02e7163455e1f342fc13e609e9088735b962d96afe0a79aaad92d4c +SIZE (gromacs-4.6.2.tar.gz) = 10986082 diff --git a/science/gromacs/files/patch-src__gmxlib__thread_mpi__atomic.c b/science/gromacs/files/patch-src__gmxlib__thread_mpi__atomic.c new file mode 100644 index 000000000000..b5be4b19778c --- /dev/null +++ b/science/gromacs/files/patch-src__gmxlib__thread_mpi__atomic.c @@ -0,0 +1,17 @@ +--- src/gmxlib/thread_mpi/atomic.c.orig ++++ src/gmxlib/thread_mpi/atomic.c +@@ -35,6 +35,14 @@ + files. + */ + ++#ifdef HAVE_TMPI_CONFIG_H ++#include "tmpi_config.h" ++#endif ++ ++#ifdef HAVE_CONFIG_H ++#include "config.h" ++#endif ++ + #include "impl.h" + + /* This file is only needed when no intrinsic atomic operations are present. */ diff --git a/science/gromacs/pkg-plist b/science/gromacs/pkg-plist index 21af82da2853..19f42e3b81fd 100644 --- a/science/gromacs/pkg-plist +++ b/science/gromacs/pkg-plist @@ -256,6 +256,8 @@ include/gromacs/tgroup.h include/gromacs/thread_mpi.h include/gromacs/thread_mpi/atomic.h include/gromacs/thread_mpi/atomic/cycles.h +include/gromacs/thread_mpi/atomic/derived.h +include/gromacs/thread_mpi/atomic/fujitsu_sparc64.h include/gromacs/thread_mpi/atomic/gcc.h include/gromacs/thread_mpi/atomic/gcc_ia64.h include/gromacs/thread_mpi/atomic/gcc_intrinsics.h @@ -985,6 +987,27 @@ libdata/pkgconfig/libmd%%SUFFIX_MPI%%%%SUFFIX_D%%.pc %%DATADIR%%/top/gromos53a6.ff/tip3p.itp %%DATADIR%%/top/gromos53a6.ff/tip4p.itp %%DATADIR%%/top/gromos53a6.ff/watermodels.dat +%%DATADIR%%/top/gromos54a7.ff/aminoacids.c.tdb +%%DATADIR%%/top/gromos54a7.ff/aminoacids.hdb +%%DATADIR%%/top/gromos54a7.ff/aminoacids.n.tdb +%%DATADIR%%/top/gromos54a7.ff/aminoacids.r2b +%%DATADIR%%/top/gromos54a7.ff/aminoacids.rtp +%%DATADIR%%/top/gromos54a7.ff/aminoacids.vsd +%%DATADIR%%/top/gromos54a7.ff/atomtypes.atp +%%DATADIR%%/top/gromos54a7.ff/dppc.itp +%%DATADIR%%/top/gromos54a7.ff/ff_dum.itp +%%DATADIR%%/top/gromos54a7.ff/ffbonded.itp +%%DATADIR%%/top/gromos54a7.ff/ffnonbonded.itp +%%DATADIR%%/top/gromos54a7.ff/forcefield.doc +%%DATADIR%%/top/gromos54a7.ff/forcefield.itp +%%DATADIR%%/top/gromos54a7.ff/ions.itp +%%DATADIR%%/top/gromos54a7.ff/popc.itp +%%DATADIR%%/top/gromos54a7.ff/spc.itp +%%DATADIR%%/top/gromos54a7.ff/spce.itp +%%DATADIR%%/top/gromos54a7.ff/tip3p.itp +%%DATADIR%%/top/gromos54a7.ff/tip4p.itp +%%DATADIR%%/top/gromos54a7.ff/tmcl.itp +%%DATADIR%%/top/gromos54a7.ff/watermodels.dat %%DATADIR%%/top/gurgle.dat %%DATADIR%%/top/ha-shift.dat %%DATADIR%%/top/highway.dat @@ -1042,6 +1065,7 @@ libdata/pkgconfig/libmd%%SUFFIX_MPI%%%%SUFFIX_D%%.pc %%DATADIR%%/top/vdwradii.dat %%DATADIR%%/top/xlateat.dat @dirrm %%DATADIR%%/top/oplsaa.ff +@dirrm %%DATADIR%%/top/gromos54a7.ff @dirrm %%DATADIR%%/top/gromos53a6.ff @dirrm %%DATADIR%%/top/gromos53a5.ff @dirrm %%DATADIR%%/top/gromos45a3.ff |