2018-07-18 23:47:12 +02:00
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# $FreeBSD$
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PORTNAME= quantum-espresso
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DISTVERSIONPREFIX= qe-
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2019-03-06 04:17:45 +01:00
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DISTVERSION= 6.4
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2018-07-18 23:47:12 +02:00
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CATEGORIES= science
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MAINTAINER= yuri@FreeBSD.org
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COMMENT= Package for research in electronic structure, simulation, optimization
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LICENSE= GPLv2
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LICENSE_FILE= ${WRKSRC}/License
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BUILD_DEPENDS= fox-xml>0:textproc/fox-xml \
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bash:shells/bash
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2018-09-22 18:36:38 +02:00
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LIB_DEPENDS= libmpich.so:net/mpich \
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2018-07-18 23:47:12 +02:00
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libblas.so:math/blas \
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liblapack.so:math/lapack
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USES= fortran gmake python shebangfix
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2019-03-06 04:17:45 +01:00
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SHEBANG_FILES= configure
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2018-07-18 23:47:12 +02:00
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GNU_CONFIGURE= yes
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USE_GITHUB= yes
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GH_ACCOUNT= QEF
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GH_PROJECT= q-e
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MAKE_ARGS= TOPDIR=${WRKSRC}
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BINARY_ALIAS= make=gmake cpp=/usr/local/bin/cpp${GCC_DEFAULT}
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FFLAGS+= -x f95-cpp-input
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LDFLAGS+= ${LOCALBASE}/lib/gcc${GCC_DEFAULT}/libgfortran.so -lm
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MAKE_JOBS_UNSAFE= yes # https://github.com/QEF/q-e/issues/9
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post-extract:
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@${RM} ${WRKSRC}/archive/lapack-3.6.1.tgz
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@cd ${WRKSRC} && ${MKDIR} FoX && ${LN} -s ${LOCALBASE}/include FoX/finclude
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pre-build:
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@${REINPLACE_CMD} -i '' -e ' \
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s|$$(CPP) $$(CPPFLAGS)|$$(CPP) -P -traditional $$(CPPFLAGS)| ; \
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s|LD *=.*|LD=${CC}| ; \
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s|LAPACK_LIBS *=.*|LAPACK_LIBS=-L${LOCALBASE}/lib -llapack -lblas|' \
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${WRKSRC}/make.inc
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2018-07-19 12:18:07 +02:00
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run-examples: build
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.for c in PP PW PWCOND PHonon
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@cd ${WRKSRC}/$c/examples && PREFIX=${STAGEDIR}${PREFIX} ./run_all_examples
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.endfor
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2018-07-18 23:47:12 +02:00
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.include <bsd.port.mk>
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