mirror of
https://git.FreeBSD.org/ports.git
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97 lines
2.7 KiB
Makefile
97 lines
2.7 KiB
Makefile
PORTNAME= tinker
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DISTVERSION= 8.11.3
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PORTREVISION= 1
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CATEGORIES= science
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MASTER_SITES= https://dasher.wustl.edu/tinker/downloads/
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MAINTAINER= yuri@FreeBSD.org
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COMMENT= General purpose molecular modelling package
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WWW= https://dasher.wustl.edu/tinker/
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LICENSE= TINKER
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LICENSE_NAME= TINKER license agreement
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LICENSE_FILE= ${WRKSRC}/doc/license.pdf
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LICENSE_PERMS= auto-accept # internal academic purposes only, no commercial use
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LIB_DEPENDS= libfftw3.so:math/fftw3
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USES= fortran gmake
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WRKSRC= ${WRKDIR}/${PORTNAME}
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BUILD_WRKSRC= ${WRKSRC}/source
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INSTALL_WRKSRC= ${WRKSRC}/source
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MAKE_ENV= HAVE_G2C=yes
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MAKE_ARGS= RANLIB=ranlib BINDIR=${STAGEDIR}${PREFIX}/bin LIBS="${LOCALBASE}/lib/libfftw3.a ${LOCALBASE}/lib/libfftw3_threads.a"
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MAKEFILE= ${WRKSRC}/make/Makefile
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EXTRACT_AFTER_ARGS=--exclude fftw --exclude windows --exclude macosx
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SUB_FILES= pkg-message
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BINARY_ALIAS= gfortran=gfortran${GCC_DEFAULT}
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OPTIONS_DEFINE= NATIVE OPTIMIZED_FFLAGS DOCS EXAMPLES
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OPTIONS_DEFINE_amd64= SIMD
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OPTIONS_DEFINE_i386= SIMD
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NATIVE_MAKE_ARGS= PORT_SIMD_FLAGS+="-march=native"
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OPTIMIZED_FFLAGS_DESC= Fortran compilation optimizations
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SIMD_MAKE_ARGS= PORT_SIMD_FLAGS+="-msse -msse2 -mssse3"
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PORTDOCS= *
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PORTEXAMPLES= *
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.include <bsd.port.options.mk>
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.if ${PORT_OPTIONS:MOPTIMIZED_FFLAGS}
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FFLAGS+= -O3 -ffast-math -finline-functions -fomit-frame-pointer -funroll-loops -fexpensive-optimizations
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.if (${ARCH} == "i386")
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FFLAGS+= -mfancy-math-387 -malign-double
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.endif # i386
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.endif # OPTIMIZED_FFLAGS
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post-extract:
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@${RM} ${BUILD_WRKSRC}/*.c
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@${RM} ${WRKSRC}/other/eopbend.orig
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# remove bundled linux libraries
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@${RM} ${WRKSRC}/lib/linux/*
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post-patch:
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@${REINPLACE_CMD} -i '' 's|\.\./bin/|${STAGEDIR}${PREFIX}/bin/|' ${BUILD_WRKSRC}/../bench/bench*.run
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post-install:
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@${MKDIR} ${STAGEDIR}${DATADIR}
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@${MKDIR} ${STAGEDIR}${DATADIR}/params
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cd ${WRKSRC}/params && ${INSTALL_DATA} * ${STAGEDIR}${DATADIR}/params
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@${MKDIR} ${STAGEDIR}${DATADIR}/test
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cd ${WRKSRC}/test && ${INSTALL_DATA} * ${STAGEDIR}${DATADIR}/test
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post-install-DOCS-on:
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@${MKDIR} ${STAGEDIR}${DOCSDIR}
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cd ${WRKSRC}/doc && ${INSTALL_DATA} 0README *.pdf ${STAGEDIR}${DOCSDIR}
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post-install-EXAMPLES-on:
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@${MKDIR} ${STAGEDIR}${EXAMPLESDIR}
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cd ${WRKSRC}/example && ${INSTALL_DATA} \
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0README *.make *.dyn *.int *.frac *.key *.seq *.pdb *.xyz \
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${STAGEDIR}${EXAMPLESDIR}
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do-test:
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${RM} -r ${WRKSRC}/bin
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${LN} -s ${STAGEDIR}${PREFIX}/bin ${WRKSRC}/bin
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cd ${WRKSRC}/test && \
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for test_run in *.run; do \
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${ECHO} "Running test $${test_run} ..." && \
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./$${test_run} && \
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${ECHO} "Test $${test_run} suceeded"; \
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done
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benchmarks: stage
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.for n in 1 2 3 4 5 6 7 8 9
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@cd ${BUILD_WRKSRC}/../bench && ./bench${n}.run
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.endfor
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.include <bsd.port.mk>
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