Date: Tue, 4 Jun 2013 08:19:33 +0000 (UTC) From: Martin Wilke <miwi@FreeBSD.org> To: ports-committers@freebsd.org, svn-ports-all@freebsd.org, svn-ports-head@freebsd.org Subject: svn commit: r319827 - in head/science/gromacs: . files Message-ID: <201306040819.r548JXB0000102@svn.freebsd.org>
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Author: miwi Date: Tue Jun 4 08:19:33 2013 New Revision: 319827 URL: http://svnweb.freebsd.org/changeset/ports/319827 Log: - Update to 4.6.2 PR: 179208 Submitted by: Ports Fury Added: head/science/gromacs/files/ head/science/gromacs/files/patch-src__gmxlib__thread_mpi__atomic.c (contents, props changed) Modified: head/science/gromacs/Makefile head/science/gromacs/distinfo head/science/gromacs/pkg-plist Modified: head/science/gromacs/Makefile ============================================================================== --- head/science/gromacs/Makefile Tue Jun 4 06:58:09 2013 (r319826) +++ head/science/gromacs/Makefile Tue Jun 4 08:19:33 2013 (r319827) @@ -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/ Modified: head/science/gromacs/distinfo ============================================================================== --- head/science/gromacs/distinfo Tue Jun 4 06:58:09 2013 (r319826) +++ head/science/gromacs/distinfo Tue Jun 4 08:19:33 2013 (r319827) @@ -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 Added: head/science/gromacs/files/patch-src__gmxlib__thread_mpi__atomic.c ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/gromacs/files/patch-src__gmxlib__thread_mpi__atomic.c Tue Jun 4 08:19:33 2013 (r319827) @@ -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. */ Modified: head/science/gromacs/pkg-plist ============================================================================== --- head/science/gromacs/pkg-plist Tue Jun 4 06:58:09 2013 (r319826) +++ head/science/gromacs/pkg-plist Tue Jun 4 08:19:33 2013 (r319827) @@ -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%%%%S %%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%%%%S %%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
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