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# Created by: Glenn Johnson
# $FreeBSD$
PORTNAME= tinker
DISTVERSION= 8.7.1
CATEGORIES= science
MASTER_SITES= https://dasher.wustl.edu/tinker/downloads/
MAINTAINER= yuri@FreeBSD.org
COMMENT= General purpose molecular modelling package
LICENSE= TINKER
LICENSE_NAME= TINKER license agreement
LICENSE_FILE= ${WRKSRC}/doc/license.pdf
LICENSE_PERMS= auto-accept # internal academic purposes only, no commercial use
LIB_DEPENDS= libfftw3.so:math/fftw3
USES= fortran gmake
WRKSRC= ${WRKDIR}/${PORTNAME}
BUILD_WRKSRC= ${WRKSRC}/source
INSTALL_WRKSRC= ${WRKSRC}/source
MAKE_ENV= HAVE_G2C=yes
MAKE_ARGS= RANLIB=ranlib BINDIR=${STAGEDIR}${PREFIX}/bin
MAKEFILE= ${WRKSRC}/make/Makefile
EXTRACT_AFTER_ARGS=--exclude fftw --exclude windows --exclude macosx
SUB_FILES= pkg-message
BINARY_ALIAS= gfortran=gfortran${GCC_DEFAULT}
OPTIONS_DEFINE= OPTIMIZED_FFLAGS DOCS EXAMPLES
OPTIONS_DEFINE_amd64= SSE
OPTIONS_DEFINE_i386= SSE
OPTIONS_DEFAULT_amd64= SSE
OPTIONS_DEFAULT_i386= SSE
SSE_MAKE_ARGS= PORT_SIMD_FLAGS="-msse -msse2 -mfpmath=sse"
OPTIMIZED_FFLAGS_DESC= compilation optimizations
PORTDOCS= *
PORTEXAMPLES= *
.include <bsd.port.options.mk>
.if ${PORT_OPTIONS:MOPTIMIZED_FFLAGS}
FFLAGS+= -O3 -ffast-math -finline-functions -fomit-frame-pointer -funroll-loops -fexpensive-optimizations
.if (${ARCH} == "i386")
FFLAGS+= -mfancy-math-387 -malign-double
.endif # i386
.endif
post-extract:
@${RM} ${BUILD_WRKSRC}/*.c
@${RM} ${WRKSRC}/other/eopbend.orig
post-patch:
@${REINPLACE_CMD} -i '' 's|\.\./bin/|${STAGEDIR}${PREFIX}/bin/|' ${BUILD_WRKSRC}/../bench/bench*.run
post-install:
@${MKDIR} ${STAGEDIR}${DATADIR}
@${MKDIR} ${STAGEDIR}${DATADIR}/params
cd ${WRKSRC}/params && ${INSTALL_DATA} * ${STAGEDIR}${DATADIR}/params
@${MKDIR} ${STAGEDIR}${DATADIR}/test
cd ${WRKSRC}/test && ${INSTALL_DATA} * ${STAGEDIR}${DATADIR}/test
post-install-DOCS-on:
@${MKDIR} ${STAGEDIR}${DOCSDIR}
cd ${WRKSRC}/doc && ${INSTALL_DATA} 0README *.pdf ${STAGEDIR}${DOCSDIR}
post-install-EXAMPLES-on:
@${MKDIR} ${STAGEDIR}${EXAMPLESDIR}
cd ${WRKSRC}/example && ${INSTALL_DATA} \
0README *.make *.dyn *.int *.frac *.key *.seq *.pdb *.xyz \
${STAGEDIR}${EXAMPLESDIR}
benchmarks: stage
.for n in 1 2 3 4 5 6 7 8 9
@cd ${BUILD_WRKSRC}/../bench && ./bench${n}.run
.endfor
.include <bsd.port.mk>
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