Attachment 147647 Details for Bug 193902 – science_gromacs.diff

[patch] science_gromacs.diff

science_gromacs.diff (text/plain), 5.70 KB, created by tkato432 on 2014-09-24 18:35:05 UTC

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Creator: tkato432

Created: 2014-09-24 18:35:05 UTC

Size: 5.70 KB

patch

obsolete

>diff -urN /usr/ports/science/gromacs/Makefile science/gromacs/Makefile
>--- /usr/ports/science/gromacs/Makefile	2014-09-11 15:38:07.000000000 +0900
>+++ science/gromacs/Makefile	2014-09-25 00:00:00.000000000 +0900
>@@ -2,8 +2,7 @@
> # $FreeBSD: head/science/gromacs/Makefile 367888 2014-09-10 20:50:31Z gerald $
> 
> PORTNAME=	gromacs
>-PORTVERSION=	5.0
>-PORTREVISION=	4
>+PORTVERSION=	5.0.1
> CATEGORIES=	science
> MASTER_SITES=	ftp://ftp.gromacs.org/pub/gromacs/
> 
>@@ -22,10 +21,10 @@
> 		-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_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="_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
>diff -urN /usr/ports/science/gromacs/distinfo science/gromacs/distinfo
>--- /usr/ports/science/gromacs/distinfo	2014-08-10 20:14:11.000000000 +0900
>+++ science/gromacs/distinfo	2014-09-25 00:00:00.000000000 +0900
>@@ -1,2 +1,2 @@
>-SHA256 (gromacs-5.0.tar.gz) = c2c9b5e75e014785641f39fbbde9829ce200f963344b35fa942f041a0dcfeb20
>-SIZE (gromacs-5.0.tar.gz) = 26862408
>+SHA256 (gromacs-5.0.1.tar.gz) = 5ebe5d5aa176882060f247fe70e9126fcbc12fe40222df75fb7546bb931e86ed
>+SIZE (gromacs-5.0.1.tar.gz) = 26339530
>diff -urN /usr/ports/science/gromacs/pkg-plist science/gromacs/pkg-plist
>--- /usr/ports/science/gromacs/pkg-plist	2014-08-10 20:14:11.000000000 +0900
>+++ science/gromacs/pkg-plist	2014-09-25 00:00:00.000000000 +0900
>@@ -397,18 +397,6 @@
> %%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 @@
> %%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 @@
> %%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 @@
> %%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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Attachments on bug 193902: 147647 | 147977