82 lines
2 KiB
Makefile
82 lines
2 KiB
Makefile
PORTNAME= elk
|
|
DISTVERSION= 8.7.2
|
|
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>
|