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PORTNAME= quantum-espresso
DISTVERSIONPREFIX= qe-
DISTVERSION= 6.7.0
CATEGORIES= science
MAINTAINER= yuri@FreeBSD.org
COMMENT= Package for research in electronic structure, simulation, optimization
LICENSE= GPLv2
LICENSE_FILE= ${WRKSRC}/License
BROKEN_armv6= fails to build: gfortran8: error: iotk_base_tmp.f90: No such file or directory
BROKEN_armv7= fails to build: gfortran8: error: iotk_base_tmp.f90: No such file or directory
BUILD_DEPENDS= fox-xml>0:textproc/fox-xml \
bash:shells/bash
LIB_DEPENDS= libmpich.so:net/mpich \
libblas.so:math/blas \
liblapack.so:math/lapack
USES= fortran gmake python shebangfix
SHEBANG_FILES= configure
GNU_CONFIGURE= yes
USE_GITHUB= yes
GH_ACCOUNT= QEF
GH_PROJECT= q-e
MAKE_ARGS= TOPDIR=${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
.include <bsd.port.pre.mk>
. if ${GCC_DEFAULT} >= 10
FFLAGS+= -fallow-argument-mismatch # workaround for https://github.com/QEF/q-e/issues/34
. endif
post-extract:
@${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| ; \
s|BLAS_LIBS *=.*|BLAS_LIBS=-L${LOCALBASE}/lib -lblas|' \
${WRKSRC}/make.inc
post-install:
@${STRIP_CMD} ${STAGEDIR}${PREFIX}/bin/*.x
run-examples: build
.for c in PP PW PWCOND PHonon
@cd ${WRKSRC}/$c/examples && PREFIX=${STAGEDIR}${PREFIX} ./run_all_examples
.endfor
.include <bsd.port.post.mk>
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