Attachment #147647 for bug #193902




# $FreeBSD: head/science/gromacs/Makefile 367888 2014-09-10 20:50:31Z gerald $

PORTNAME=	gromacs
PORTVERSION=	5.0.1
PORTREVISION=	4
CATEGORIES=	science
MASTER_SITES=	ftp://ftp.gromacs.org/pub/gromacs/


		-DUSE_PYTHON_SCRIPTS:BOOL=OFF
USE_LDCONFIG=	yes

OPTIONS_DEFINE=		ATLAS FLOAT OPENMP SIMD X11
OPTIONS_RADIO=		MPI
OPTIONS_RADIO_MPI=	MPICH2 OPENMPI
OPTIONS_DEFAULT=	FLOAT OPENMP X11
OPTIONS_SUB=		yes

ATLAS_DESC=		Use ATLAS for BLAS and LAPACK

FLOAT_LIB_DEPENDS_OFF=	libfftw3.so:${PORTSDIR}/math/fftw3
FLOAT_CMAKE_ON=		-DGMX_DOUBLE:BOOL=OFF
FLOAT_CMAKE_OFF=	-DGMX_DOUBLE:BOOL=ON
MPICH2_LIB_DEPENDS=	libmpich.so:${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

PLIST_SUB+=	SUFFIX_D="_d"
.endif

.if ${PORT_OPTIONS:MMPICH2} || ${PORT_OPTIONS:MOPENMPI}
CMAKE_ARGS+=	-DGMX_MPI:BOOL=ON
PLIST_SUB+=	SUFFIX_MPI="_mpi"
.else

Lines 1-2 Link Here

(-)science/gromacs/distinfo (-2 / +2 lines)
1	SHA256 (gromacs-5.0.tar.gz) = c2c9b5e75e014785641f39fbbde9829ce200f963344b35fa942f041a0dcfeb20	1	SHA256 (gromacs-5.0.1.tar.gz) = 5ebe5d5aa176882060f247fe70e9126fcbc12fe40222df75fb7546bb931e86ed
2	SIZE (gromacs-5.0.tar.gz) = 26862408	2	SIZE (gromacs-5.0.1.tar.gz) = 26339530




%%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

%%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

%%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

%%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

Return to bug 193902

Lines 2-9 Link Here

(-)science/gromacs/Makefile (-13 / +13 lines)
2	# $FreeBSD: head/science/gromacs/Makefile 367888 2014-09-10 20:50:31Z gerald $	2	# $FreeBSD: head/science/gromacs/Makefile 367888 2014-09-10 20:50:31Z gerald $
3		3
4	PORTNAME= gromacs	4	PORTNAME= gromacs
5	PORTVERSION= 5.0	5	PORTVERSION= 5.0.1
6	PORTREVISION= 4
7	CATEGORIES= science	6	CATEGORIES= science
8	MASTER_SITES= ftp://ftp.gromacs.org/pub/gromacs/	7	MASTER_SITES= ftp://ftp.gromacs.org/pub/gromacs/
9		8
Lines 22-31 Link Here
22	-DUSE_PYTHON_SCRIPTS:BOOL=OFF	21	-DUSE_PYTHON_SCRIPTS:BOOL=OFF
23	USE_LDCONFIG= yes	22	USE_LDCONFIG= yes
24		23
25	OPTIONS_DEFINE= ATLAS FLOAT SIMD X11	24	OPTIONS_DEFINE= ATLAS FLOAT OPENMP SIMD X11
26	OPTIONS_RADIO= MPI	25	OPTIONS_RADIO= MPI
27	OPTIONS_RADIO_MPI= MPICH OMPI	26	OPTIONS_RADIO_MPI= MPICH2 OPENMPI
28	OPTIONS_DEFAULT= FLOAT X11	27	OPTIONS_DEFAULT= FLOAT OPENMP X11
29	OPTIONS_SUB= yes	28	OPTIONS_SUB= yes
30		29
31	ATLAS_DESC= Use ATLAS for BLAS and LAPACK	30	ATLAS_DESC= Use ATLAS for BLAS and LAPACK
Lines 42-54 Link Here
42	FLOAT_LIB_DEPENDS_OFF= libfftw3.so:${PORTSDIR}/math/fftw3	41	FLOAT_LIB_DEPENDS_OFF= libfftw3.so:${PORTSDIR}/math/fftw3
43	FLOAT_CMAKE_ON= -DGMX_DOUBLE:BOOL=OFF	42	FLOAT_CMAKE_ON= -DGMX_DOUBLE:BOOL=OFF
44	FLOAT_CMAKE_OFF= -DGMX_DOUBLE:BOOL=ON	43	FLOAT_CMAKE_OFF= -DGMX_DOUBLE:BOOL=ON
45	MPICH_DESC= MPI support using net/mpich2	44	MPICH2_LIB_DEPENDS= libmpich.so:${PORTSDIR}/net/mpich2
46	MPICH_LIB_DEPENDS= libmpich.so:${PORTSDIR}/net/mpich2	45	MPICH2_CMAKE_ON= -DMPI_C_COMPILER:FILEPATH="${LOCALBASE}/bin/mpicc"
47	MPICH_CMAKE_ON= -DMPI_C_COMPILER:FILEPATH="${LOCALBASE}/bin/mpicc"	46	OPENMP_USES= compiler:openmp
48	OMPI_DESC= MPI support using net/openmpi	47	OPENMP_CMAKE_ON= -DGMX_CXX11:BOOL=OFF
49	OMPI_BUILD_DEPENDS= openmpi>0:${PORTSDIR}/net/openmpi	48	OPENMP_CMAKE_OFF= -DGMX_OPENMP:BOOL=OFF
50	OMPI_RUN_DEPENDS= openmpi>0:${PORTSDIR}/net/openmpi	49	OPENMPI_BUILD_DEPENDS= openmpi>0:${PORTSDIR}/net/openmpi
51	OMPI_CMAKE_ON= -DMPI_C_COMPILER:FILEPATH="${LOCALBASE}/mpi/openmpi/bin/mpicc"	50	OPENMPI_RUN_DEPENDS= openmpi>0:${PORTSDIR}/net/openmpi
		51	OPENMPI_CMAKE_ON= -DMPI_C_COMPILER:FILEPATH="${LOCALBASE}/mpi/openmpi/bin/mpicc"
52	SIMD_CMAKE_OFF= -DGMX_SIMD:STRING="None"	52	SIMD_CMAKE_OFF= -DGMX_SIMD:STRING="None"
53	X11_USE= XORG=xext,x11	53	X11_USE= XORG=xext,x11
54	X11_CMAKE_ON= -DGMX_X11:BOOL=ON	54	X11_CMAKE_ON= -DGMX_X11:BOOL=ON
Lines 62-68 Link Here
62	PLIST_SUB+= SUFFIX_D="_d"	62	PLIST_SUB+= SUFFIX_D="_d"
63	.endif	63	.endif
64		64
65	.if ${PORT_OPTIONS:MMPICH} \|\| ${PORT_OPTIONS:MOMPI}	65	.if ${PORT_OPTIONS:MMPICH2} \|\| ${PORT_OPTIONS:MOPENMPI}
66	CMAKE_ARGS+= -DGMX_MPI:BOOL=ON	66	CMAKE_ARGS+= -DGMX_MPI:BOOL=ON
67	PLIST_SUB+= SUFFIX_MPI="_mpi"	67	PLIST_SUB+= SUFFIX_MPI="_mpi"
68	.else	68	.else

Lines 397-414 Link Here

(-)science/gromacs/pkg-plist (-59 / +1 lines)
397	%%DATADIR%%/COPYING	397	%%DATADIR%%/COPYING
398	%%DATADIR%%/README.tutor	398	%%DATADIR%%/README.tutor
399	%%DATADIR%%/README_FreeEnergyModifications.txt	399	%%DATADIR%%/README_FreeEnergyModifications.txt
400	%%DATADIR%%/html/images/1ctf-0.2.jpg
401	%%DATADIR%%/html/images/1ctf-0.5.jpg
402	%%DATADIR%%/html/images/1ctf-0.jpg
403	%%DATADIR%%/html/images/1ctf-1.jpg
404	%%DATADIR%%/html/images/1ctf-10.jpg
405	%%DATADIR%%/html/images/1ctf-4.jpg
406	%%DATADIR%%/html/images/articles.gif
407	%%DATADIR%%/html/images/bench.gif
408	%%DATADIR%%/html/images/charts_down.gif
409	%%DATADIR%%/html/images/charts_up.gif
410	%%DATADIR%%/html/images/faq.gif
411	%%DATADIR%%/html/images/features.gif
412	%%DATADIR%%/html/images/flow_down.gif	400	%%DATADIR%%/html/images/flow_down.gif
413	%%DATADIR%%/html/images/flow_downleft.gif	401	%%DATADIR%%/html/images/flow_downleft.gif
414	%%DATADIR%%/html/images/flow_hline.gif	402	%%DATADIR%%/html/images/flow_hline.gif
Lines 424-436 Link Here
424	%%DATADIR%%/html/images/flow_vline.gif	412	%%DATADIR%%/html/images/flow_vline.gif
425	%%DATADIR%%/html/images/flow_vrule.gif	413	%%DATADIR%%/html/images/flow_vrule.gif
426	%%DATADIR%%/html/images/gmxlogo_small.jpg	414	%%DATADIR%%/html/images/gmxlogo_small.jpg
427	%%DATADIR%%/html/images/links.gif
428	%%DATADIR%%/html/images/mail.gif
429	%%DATADIR%%/html/images/manual.gif
430	%%DATADIR%%/html/images/plotje.gif	415	%%DATADIR%%/html/images/plotje.gif
431	%%DATADIR%%/html/images/rainbow.gif
432	%%DATADIR%%/html/images/software.gif
433	%%DATADIR%%/html/images/topologies.gif
434	%%DATADIR%%/html/images/xvgr.gif	416	%%DATADIR%%/html/images/xvgr.gif
435	%%DATADIR%%/html/online.html	417	%%DATADIR%%/html/online.html
436	%%DATADIR%%/html/online/cpt.html	418	%%DATADIR%%/html/online/cpt.html
Lines 446-451 Link Here
446	%%DATADIR%%/html/online/g96.html	428	%%DATADIR%%/html/online/g96.html
447	%%DATADIR%%/html/online/getting_started.html	429	%%DATADIR%%/html/online/getting_started.html
448	%%DATADIR%%/html/online/gro.html	430	%%DATADIR%%/html/online/gro.html
		431	%%DATADIR%%/html/online/hdb.html
449	%%DATADIR%%/html/online/itp.html	432	%%DATADIR%%/html/online/itp.html
450	%%DATADIR%%/html/online/log.html	433	%%DATADIR%%/html/online/log.html
451	%%DATADIR%%/html/online/m2p.html	434	%%DATADIR%%/html/online/m2p.html
Lines 1012-1055 Link Here
1012	%%DATADIR%%/top/vdw-msms.dat	995	%%DATADIR%%/top/vdw-msms.dat
1013	%%DATADIR%%/top/vdwradii.dat	996	%%DATADIR%%/top/vdwradii.dat
1014	%%DATADIR%%/top/xlateat.dat	997	%%DATADIR%%/top/xlateat.dat
1015	@dirrm %%DATADIR%%/top/oplsaa.ff
1016	@dirrm %%DATADIR%%/top/gromos54a7.ff
1017	@dirrm %%DATADIR%%/top/gromos53a6.ff
1018	@dirrm %%DATADIR%%/top/gromos53a5.ff
1019	@dirrm %%DATADIR%%/top/gromos45a3.ff
1020	@dirrm %%DATADIR%%/top/gromos43a2.ff
1021	@dirrm %%DATADIR%%/top/gromos43a1.ff
1022	@dirrm %%DATADIR%%/top/charmm27.ff
1023	@dirrm %%DATADIR%%/top/amberGS.ff
1024	@dirrm %%DATADIR%%/top/amber99sb.ff
1025	@dirrm %%DATADIR%%/top/amber99sb-ildn.ff
1026	@dirrm %%DATADIR%%/top/amber99.ff
1027	@dirrm %%DATADIR%%/top/amber96.ff
1028	@dirrm %%DATADIR%%/top/amber94.ff
1029	@dirrm %%DATADIR%%/top/amber03.ff
1030	@dirrm %%DATADIR%%/top
1031	@dirrm %%DATADIR%%/template/cmake
1032	@dirrm %%DATADIR%%/template
1033	@dirrm %%DATADIR%%/html/programs
1034	@dirrm %%DATADIR%%/html/online
1035	@dirrm %%DATADIR%%/html/images
1036	@dirrm %%DATADIR%%/html
1037	@dirrm %%DATADIR%%
1038	@dirrm include/gromacs/utility
1039	@dirrm include/gromacs/trajectoryanalysis
1040	@dirrm include/gromacs/timing
1041	@dirrm include/gromacs/swap
1042	@dirrm include/gromacs/selection
1043	@dirrm include/gromacs/options
1044	@dirrm include/gromacs/onlinehelp
1045	@dirrm include/gromacs/math
1046	@dirrm include/gromacs/linearalgebra
1047	@dirrm include/gromacs/legacyheaders/types
1048	@dirrm include/gromacs/legacyheaders
1049	@dirrm include/gromacs/gmxana
1050	@dirrm include/gromacs/fileio
1051	@dirrm include/gromacs/fft
1052	@dirrm include/gromacs/commandline
1053	@dirrm include/gromacs/analysisdata/modules
1054	@dirrm include/gromacs/analysisdata
1055	@dirrm include/gromacs