Date: Thu, 30 Oct 2014 12:19:02 +0000 (UTC) From: Wen Heping <wen@FreeBSD.org> To: ports-committers@freebsd.org, svn-ports-all@freebsd.org, svn-ports-head@freebsd.org Subject: svn commit: r371747 - head/science/gromacs Message-ID: <201410301219.s9UCJ2PK094987@svn.freebsd.org>
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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@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 -@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 -@dirrm %%DATADIR%%/top/gromos43a2.ff -@dirrm %%DATADIR%%/top/gromos43a1.ff -@dirrm %%DATADIR%%/top/charmm27.ff -@dirrm %%DATADIR%%/top/amberGS.ff -@dirrm %%DATADIR%%/top/amber99sb.ff -@dirrm %%DATADIR%%/top/amber99sb-ildn.ff -@dirrm %%DATADIR%%/top/amber99.ff -@dirrm %%DATADIR%%/top/amber96.ff -@dirrm %%DATADIR%%/top/amber94.ff -@dirrm %%DATADIR%%/top/amber03.ff -@dirrm %%DATADIR%%/top -@dirrm %%DATADIR%%/template/cmake -@dirrm %%DATADIR%%/template -@dirrm %%DATADIR%%/html/programs -@dirrm %%DATADIR%%/html/online -@dirrm %%DATADIR%%/html/images -@dirrm %%DATADIR%%/html -@dirrm %%DATADIR%% -@dirrm include/gromacs/utility -@dirrm include/gromacs/trajectoryanalysis -@dirrm include/gromacs/timing -@dirrm include/gromacs/swap -@dirrm include/gromacs/selection -@dirrm include/gromacs/options -@dirrm include/gromacs/onlinehelp -@dirrm include/gromacs/math -@dirrm include/gromacs/linearalgebra -@dirrm include/gromacs/legacyheaders/types -@dirrm include/gromacs/legacyheaders -@dirrm include/gromacs/gmxana -@dirrm include/gromacs/fileio -@dirrm include/gromacs/fft -@dirrm include/gromacs/commandline -@dirrm include/gromacs/analysisdata/modules -@dirrm include/gromacs/analysisdata -@dirrm include/gromacs
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