svn commit: r371747 - head/science/gromacs

Wen Heping wen at FreeBSD.org
Thu Oct 30 12:19:03 UTC 2014 

Author: wen
Date: Thu Oct 30 12:19:02 2014
New Revision: 371747
URL: https://svnweb.freebsd.org/changeset/ports/371747
QAT: https://qat.redports.org/buildarchive/r371747/

Log:
  - Update to 5.0.2
  
  PR:		193902
  Submitted by:	tkato432 at yahoo.com

Modified:
  head/science/gromacs/Makefile
  head/science/gromacs/distinfo
  head/science/gromacs/pkg-plist

Modified: head/science/gromacs/Makefile
==============================================================================
--- head/science/gromacs/Makefile	Thu Oct 30 11:52:48 2014	(r371746)
+++ head/science/gromacs/Makefile	Thu Oct 30 12:19:02 2014	(r371747)
@@ -2,8 +2,7 @@
 # $FreeBSD$
 
 PORTNAME=	gromacs
-PORTVERSION=	5.0
-PORTREVISION=	5
+PORTVERSION=	5.0.2
 CATEGORIES=	science
 MASTER_SITES=	ftp://ftp.gromacs.org/pub/gromacs/
 
@@ -22,10 +21,10 @@ CMAKE_ARGS=	-DGMX_USE_RDTSCP:BOOL=OFF \
 		-DUSE_PYTHON_SCRIPTS:BOOL=OFF
 USE_LDCONFIG=	yes
 
-OPTIONS_DEFINE=		ATLAS FLOAT SIMD X11
+OPTIONS_DEFINE=		ATLAS FLOAT OPENMP SIMD X11
 OPTIONS_RADIO=		MPI
-OPTIONS_RADIO_MPI=	MPICH OMPI
-OPTIONS_DEFAULT=	FLOAT X11
+OPTIONS_RADIO_MPI=	MPICH2 OPENMPI
+OPTIONS_DEFAULT=	FLOAT OPENMP X11
 OPTIONS_SUB=		yes
 
 ATLAS_DESC=		Use ATLAS for BLAS and LAPACK
@@ -42,13 +41,14 @@ FLOAT_LIB_DEPENDS=	libfftw3f.so:${PORTSD
 FLOAT_LIB_DEPENDS_OFF=	libfftw3.so:${PORTSDIR}/math/fftw3
 FLOAT_CMAKE_ON=		-DGMX_DOUBLE:BOOL=OFF
 FLOAT_CMAKE_OFF=	-DGMX_DOUBLE:BOOL=ON
-MPICH_DESC=		MPI support using net/mpich2
-MPICH_LIB_DEPENDS=	libmpich.so:${PORTSDIR}/net/mpich2
-MPICH_CMAKE_ON= 	-DMPI_C_COMPILER:FILEPATH="${LOCALBASE}/bin/mpicc"
-OMPI_DESC=		MPI support using net/openmpi
-OMPI_BUILD_DEPENDS=	openmpi>0:${PORTSDIR}/net/openmpi
-OMPI_RUN_DEPENDS=	openmpi>0:${PORTSDIR}/net/openmpi
-OMPI_CMAKE_ON=		-DMPI_C_COMPILER:FILEPATH="${LOCALBASE}/mpi/openmpi/bin/mpicc"
+MPICH2_LIB_DEPENDS=	libmpich.so:${PORTSDIR}/net/mpich2
+MPICH2_CMAKE_ON= 	-DMPI_C_COMPILER:FILEPATH="${LOCALBASE}/bin/mpicc"
+OPENMP_USES=		compiler:openmp
+OPENMP_CMAKE_ON=	-DGMX_CXX11:BOOL=OFF
+OPENMP_CMAKE_OFF=	-DGMX_OPENMP:BOOL=OFF
+OPENMPI_BUILD_DEPENDS=	openmpi>0:${PORTSDIR}/net/openmpi
+OPENMPI_RUN_DEPENDS=	openmpi>0:${PORTSDIR}/net/openmpi
+OPENMPI_CMAKE_ON=	-DMPI_C_COMPILER:FILEPATH="${LOCALBASE}/mpi/openmpi/bin/mpicc"
 SIMD_CMAKE_OFF=		-DGMX_SIMD:STRING="None"
 X11_USE=		XORG=xext,x11
 X11_CMAKE_ON=		-DGMX_X11:BOOL=ON
@@ -62,7 +62,7 @@ PLIST_SUB+=	SUFFIX_D=""
 PLIST_SUB+=	SUFFIX_D="_d"
 .endif
 
-.if ${PORT_OPTIONS:MMPICH} || ${PORT_OPTIONS:MOMPI}
+.if ${PORT_OPTIONS:MMPICH2} || ${PORT_OPTIONS:MOPENMPI}
 CMAKE_ARGS+=	-DGMX_MPI:BOOL=ON
 PLIST_SUB+=	SUFFIX_MPI="_mpi"
 .else

Modified: head/science/gromacs/distinfo
==============================================================================
--- head/science/gromacs/distinfo	Thu Oct 30 11:52:48 2014	(r371746)
+++ head/science/gromacs/distinfo	Thu Oct 30 12:19:02 2014	(r371747)
@@ -1,2 +1,2 @@
-SHA256 (gromacs-5.0.tar.gz) = c2c9b5e75e014785641f39fbbde9829ce200f963344b35fa942f041a0dcfeb20
-SIZE (gromacs-5.0.tar.gz) = 26862408
+SHA256 (gromacs-5.0.2.tar.gz) = 244a458f3e5297e53a03b1999beedd6d1fa222ad5c597864fff024a8c589f58b
+SIZE (gromacs-5.0.2.tar.gz) = 26340320

Modified: head/science/gromacs/pkg-plist
==============================================================================
--- head/science/gromacs/pkg-plist	Thu Oct 30 11:52:48 2014	(r371746)
+++ head/science/gromacs/pkg-plist	Thu Oct 30 12:19:02 2014	(r371747)
@@ -397,18 +397,6 @@ man/man7/gromacs.7.gz
 %%DATADIR%%/COPYING
 %%DATADIR%%/README.tutor
 %%DATADIR%%/README_FreeEnergyModifications.txt
-%%DATADIR%%/html/images/1ctf-0.2.jpg
-%%DATADIR%%/html/images/1ctf-0.5.jpg
-%%DATADIR%%/html/images/1ctf-0.jpg
-%%DATADIR%%/html/images/1ctf-1.jpg
-%%DATADIR%%/html/images/1ctf-10.jpg
-%%DATADIR%%/html/images/1ctf-4.jpg
-%%DATADIR%%/html/images/articles.gif
-%%DATADIR%%/html/images/bench.gif
-%%DATADIR%%/html/images/charts_down.gif
-%%DATADIR%%/html/images/charts_up.gif
-%%DATADIR%%/html/images/faq.gif
-%%DATADIR%%/html/images/features.gif
 %%DATADIR%%/html/images/flow_down.gif
 %%DATADIR%%/html/images/flow_downleft.gif
 %%DATADIR%%/html/images/flow_hline.gif
@@ -424,13 +412,7 @@ man/man7/gromacs.7.gz
 %%DATADIR%%/html/images/flow_vline.gif
 %%DATADIR%%/html/images/flow_vrule.gif
 %%DATADIR%%/html/images/gmxlogo_small.jpg
-%%DATADIR%%/html/images/links.gif
-%%DATADIR%%/html/images/mail.gif
-%%DATADIR%%/html/images/manual.gif
 %%DATADIR%%/html/images/plotje.gif
-%%DATADIR%%/html/images/rainbow.gif
-%%DATADIR%%/html/images/software.gif
-%%DATADIR%%/html/images/topologies.gif
 %%DATADIR%%/html/images/xvgr.gif
 %%DATADIR%%/html/online.html
 %%DATADIR%%/html/online/cpt.html
@@ -446,6 +428,7 @@ man/man7/gromacs.7.gz
 %%DATADIR%%/html/online/g96.html
 %%DATADIR%%/html/online/getting_started.html
 %%DATADIR%%/html/online/gro.html
+%%DATADIR%%/html/online/hdb.html
 %%DATADIR%%/html/online/itp.html
 %%DATADIR%%/html/online/log.html
 %%DATADIR%%/html/online/m2p.html
@@ -1012,44 +995,3 @@ man/man7/gromacs.7.gz
 %%DATADIR%%/top/vdw-msms.dat
 %%DATADIR%%/top/vdwradii.dat
 %%DATADIR%%/top/xlateat.dat
- at dirrm %%DATADIR%%/top/oplsaa.ff
- at dirrm %%DATADIR%%/top/gromos54a7.ff
- at dirrm %%DATADIR%%/top/gromos53a6.ff
- at dirrm %%DATADIR%%/top/gromos53a5.ff
- at dirrm %%DATADIR%%/top/gromos45a3.ff
- at dirrm %%DATADIR%%/top/gromos43a2.ff
- at dirrm %%DATADIR%%/top/gromos43a1.ff
- at dirrm %%DATADIR%%/top/charmm27.ff
- at dirrm %%DATADIR%%/top/amberGS.ff
- at dirrm %%DATADIR%%/top/amber99sb.ff
- at dirrm %%DATADIR%%/top/amber99sb-ildn.ff
- at dirrm %%DATADIR%%/top/amber99.ff
- at dirrm %%DATADIR%%/top/amber96.ff
- at dirrm %%DATADIR%%/top/amber94.ff
- at dirrm %%DATADIR%%/top/amber03.ff
- at dirrm %%DATADIR%%/top
- at dirrm %%DATADIR%%/template/cmake
- at dirrm %%DATADIR%%/template
- at dirrm %%DATADIR%%/html/programs
- at dirrm %%DATADIR%%/html/online
- at dirrm %%DATADIR%%/html/images
- at dirrm %%DATADIR%%/html
- at dirrm %%DATADIR%%
- at dirrm include/gromacs/utility
- at dirrm include/gromacs/trajectoryanalysis
- at dirrm include/gromacs/timing
- at dirrm include/gromacs/swap
- at dirrm include/gromacs/selection
- at dirrm include/gromacs/options
- at dirrm include/gromacs/onlinehelp
- at dirrm include/gromacs/math
- at dirrm include/gromacs/linearalgebra
- at dirrm include/gromacs/legacyheaders/types
- at dirrm include/gromacs/legacyheaders
- at dirrm include/gromacs/gmxana
- at dirrm include/gromacs/fileio
- at dirrm include/gromacs/fft
- at dirrm include/gromacs/commandline
- at dirrm include/gromacs/analysisdata/modules
- at dirrm include/gromacs/analysisdata
- at dirrm include/gromacs

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