83 lines
2.0 KiB
Makefile
83 lines
2.0 KiB
Makefile
PORTNAME= elk
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DISTVERSION= 8.7.2
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CATEGORIES= science
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MASTER_SITES= SF/${PORTNAME}/
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PKGNAMESUFFIX= -chemistry
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DIST_SUBDIR= ${PORTNAME}${PKGNAMESUFFIX}
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MAINTAINER= yuri@FreeBSD.org
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COMMENT= All-electron full-potential linearised augmented-planewave code
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WWW= http://elk.sourceforge.net/
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LICENSE= GPLv3
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LICENSE_FILE= ${WRKSRC}/COPYING
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LIB_DEPENDS= libblas.so:math/blas \
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libblis.so:math/blis \
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libfftw3.so:math/fftw3 \
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libfftw3f.so:math/fftw3-float \
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liblapack.so:math/lapack \
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libopenblas.so:math/openblas \
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libwannier.so:science/wannier90 \
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libxc.so:science/libxc
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USES= fortran gmake tar:tgz
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BINARY_ALIAS= make=${GMAKE}
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LDFLAGS+= ${LOCALBASE}/lib/gcc${GCC_DEFAULT}/libgcc_s.so
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OPTIONS_DEFINE= DOCS EXAMPLES NATIVE OPENMP
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OPTIONS_RADIO= MPI
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OPTIONS_RADIO_MPI= MPICH OPENMPI
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OPTIONS_DEFAULT= OPENMP MPICH
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PARALLEL_DESC= Enable parallelizations:
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NATIVE_MAKE_ARGS= FFLAGS="${FFLAGS} -march=native -mtune=native"
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NATIVE_VARS= FFLAGS="-march=native -mtune=native"
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OPENMP_VARS= OPENMP_FLAGS=-fopenmp
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MPICH_USES= mpi:mpich
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MPICH_MAKE_ARGS= F90=${MPIF90}
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OPENMPI_USES= mpi:openmpi
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OPENMPI_MAKE_ARGS= F90=${MPIF90}
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PORTDOCS= *
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PORTEXAMPLES= *
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MAKE_JOBS_UNSAFE= yes
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PLIST_FILES= bin/${PORTNAME}
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.include <bsd.port.pre.mk>
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.if ${GCC_DEFAULT} >= 10
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# workaround for Type mismatch in argument 'cc' at (1); passed COMPLEX(8) to REAL(8)
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FCFLAGS+= -fallow-argument-mismatch
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.endif
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post-patch:
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@${SED} 's|%%GMAKE%%|${GMAKE}|; s|%%FC%%|${FC}|; \
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s|%%FCFLAGS%%|${FCFLAGS}|; \
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s|%%OPENMP_FLAGS%%|${OPENMP_FLAGS}|' \
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< ${FILESDIR}/make.inc.in \
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> ${WRKSRC}/make.inc
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do-install:
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${INSTALL_PROGRAM} ${WRKSRC}/src/${PORTNAME} ${STAGEDIR}${PREFIX}/bin
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do-install-DOCS-on:
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@${MKDIR} ${STAGEDIR}${DOCSDIR}
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${INSTALL_DATA} ${WRKSRC}/docs/*.pdf ${STAGEDIR}${DOCSDIR}
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do-install-EXAMPLES-on:
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@${MKDIR} ${STAGEDIR}${EXAMPLESDIR}
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cd ${WRKSRC}/examples && ${COPYTREE_SHARE} . ${STAGEDIR}${EXAMPLESDIR}
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do-test: # several tests fail, see https://sourceforge.net/p/elk/discussion/897822/thread/5d7862dd8b/
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@cd ${WRKSRC}/tests && ./test.sh
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.include <bsd.port.post.mk>
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