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73 lines
2.1 KiB
Makefile
73 lines
2.1 KiB
Makefile
PORTNAME= openmx
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DISTVERSION= 3.8.5 # the 18June12 patch upgrades 3.8 -> 3.8.5
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PORTREVISION= 8
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CATEGORIES= science
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MASTER_SITES= http://www.openmx-square.org/ \
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http://www.openmx-square.org/bugfixed/18June12/:patch
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DISTFILES= ${PORTNAME}${DISTVERSION:R}${EXTRACT_SUFX} \
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patch${DISTVERSION}${EXTRACT_SUFX}:patch # this patch isn't a patch, but a set of file updates
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DIST_SUBDIR= ${PORTNAME}
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EXTRACT_ONLY= ${PORTNAME}${DISTVERSION:R}${EXTRACT_SUFX}
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MAINTAINER= yuri@FreeBSD.org
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COMMENT= Nanoscale material simulations using density functional theories (DFT)
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WWW= http://www.openmx-square.org/
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LICENSE= GPLv2
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BROKEN_i386= undefined reference to `__atomic_load', see bug#229605 and https://reviews.llvm.org/D42154
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LIB_DEPENDS= libblas.so:math/blas \
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libfftw3.so:math/fftw3 \
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liblapack.so:math/lapack \
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libmpich.so:net/mpich
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USES= dos2unix fortran gmake localbase:ldflags
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USE_CXXSTD= c++11
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DOS2UNIX_FILES= openmx_common.h
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MAKEFILE= makefile
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WRKSRC= ${WRKDIR}/${PORTNAME}${DISTVERSION:R}
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CFLAGS+= -Dkcomp -fcommon
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LDFLAGS+= -lmpifort
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FFLAGS+= -fallow-argument-mismatch
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WRKSRC_SUBDIR= source
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MAKE_ENV= MPICH_CC=${CC}
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BINARY_ALIAS= gcc=${CXX}
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UTIL_PROGS= DosMain jx analysis_example esp polB bandgnu13 bin2txt cube2xsf intensity_map md2axsf
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PLIST_FILES= bin/${PORTNAME} ${UTIL_PROGS:C/^/bin\//}
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OPTIONS_DEFINE_amd64= SIMD
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OPTIONS_DEFINE_i386= SIMD
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OPTIONS_DEFAULT_amd64= SIMD
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OPTIONS_DEFAULT_i386= SIMD
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SIMD_CFLAGS= -msse -msse2 -mfpmath=sse
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SIMD_CFLAGS_OFF= -Dnosse
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CFLAGS+= ${ARCH:S/amd64//:S/i386//:S/${ARCH}/-Dnosse/}
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pre-patch: # overlay files before patching
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@cd ${WRKSRC} && ${TAR} xzf ${DISTDIR}/${DIST_SUBDIR}/patch${DISTVERSION}${EXTRACT_SUFX}
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post-patch:
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@cd ${WRKSRC} && ${REINPLACE_CMD} 's|DFT_DATA_PATH|"${DATADIR}/DFT_DATA13"|' Input_std.c check_lead.c SetPara_DFT.c OutData.c OutData_Binary.c
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post-install:
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.for u in ${UTIL_PROGS}
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${INSTALL_PROGRAM} ${WRKSRC}/${u} ${STAGEDIR}${PREFIX}/bin
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.endfor
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cd ${WRKSRC}/.. && ${COPYTREE_SHARE} DFT_DATA13 ${STAGEDIR}${DATADIR}
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# autoplist for potentials: about 500 files in DATADIR
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@cd ${STAGEDIR}${PREFIX} && \
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${FIND} ${DATADIR:S/^${PREFIX}\///} -type f >> ${TMPPLIST}
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.include <bsd.port.mk>
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