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