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PORTNAME= elk
DISTVERSION= 9.2.5
PORTREVISION= 1
CATEGORIES= science
MASTER_SITES= SF/${PORTNAME}/
PKGNAMESUFFIX= -chemistry
DIST_SUBDIR= ${PORTNAME}${PKGNAMESUFFIX}
MAINTAINER= yuri@FreeBSD.org
COMMENT= All-electron full-potential linearised augmented-planewave code
WWW= http://elk.sourceforge.net/
LICENSE= GPLv3
LICENSE_FILE= ${WRKSRC}/COPYING
LIB_DEPENDS= libblas.so:math/blas \
libblis.so:math/blis \
libfftw3.so:math/fftw3 \
libfftw3f.so:math/fftw3-float \
liblapack.so:math/lapack \
libopenblas.so:math/openblas \
libwannier.so:science/wannier90 \
libxc.so:science/libxc
USES= fortran gmake tar:tgz
BINARY_ALIAS= make=${GMAKE}
LDFLAGS+= ${LOCALBASE}/lib/gcc${GCC_DEFAULT}/libgcc_s.so
OPTIONS_DEFINE= DOCS EXAMPLES NATIVE OPENMP
OPTIONS_RADIO= MPI
OPTIONS_RADIO_MPI= MPICH OPENMPI
OPTIONS_DEFAULT= OPENMP MPICH
PARALLEL_DESC= Enable parallelizations:
NATIVE_MAKE_ARGS= FFLAGS="${FFLAGS} -march=native -mtune=native"
NATIVE_VARS= FFLAGS="-march=native -mtune=native"
OPENMP_VARS= OPENMP_FLAGS=-fopenmp
MPICH_USES= mpi:mpich
MPICH_MAKE_ARGS= F90=${MPIF90}
OPENMPI_USES= mpi:openmpi
OPENMPI_MAKE_ARGS= F90=${MPIF90}
PORTDOCS= *
PORTEXAMPLES= *
MAKE_JOBS_UNSAFE= yes
PLIST_FILES= bin/${PORTNAME}
.include <bsd.port.pre.mk>
.if ${GCC_DEFAULT} >= 10
# workaround for Type mismatch in argument 'cc' at (1); passed COMPLEX(8) to REAL(8)
FCFLAGS+= -fallow-argument-mismatch
.endif
post-patch:
@${SED} 's|%%GMAKE%%|${GMAKE}|; s|%%FC%%|${FC}|; \
s|%%FCFLAGS%%|${FCFLAGS}|; \
s|%%OPENMP_FLAGS%%|${OPENMP_FLAGS}|' \
< ${FILESDIR}/make.inc.in \
> ${WRKSRC}/make.inc
do-install:
${INSTALL_PROGRAM} ${WRKSRC}/src/${PORTNAME} ${STAGEDIR}${PREFIX}/bin
do-install-DOCS-on:
@${MKDIR} ${STAGEDIR}${DOCSDIR}
${INSTALL_DATA} ${WRKSRC}/docs/*.pdf ${STAGEDIR}${DOCSDIR}
do-install-EXAMPLES-on:
@${MKDIR} ${STAGEDIR}${EXAMPLESDIR}
cd ${WRKSRC}/examples && ${COPYTREE_SHARE} . ${STAGEDIR}${EXAMPLESDIR}
do-test: # several tests fail, see https://sourceforge.net/p/elk/discussion/897822/thread/5d7862dd8b/
@cd ${WRKSRC}/tests && ./test.sh
.include <bsd.port.post.mk>
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