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head/science/erkale/Makefile
| # $FreeBSD$ | # $FreeBSD$ | ||||
| PORTNAME= erkale | PORTNAME= erkale | ||||
| DISTVERSION= g20181009 | DISTVERSION= g20181121 | ||||
| PORTREVISION= 2 | PORTREVISION= 3 | ||||
| CATEGORIES= science | CATEGORIES= science | ||||
| DIST_SUBDIR= ${PORTNAME}${PKGNAMESUFFIX} | |||||
| MAINTAINER= yuri@FreeBSD.org | MAINTAINER= yuri@FreeBSD.org | ||||
| COMMENT= Quantum chemistry program to solve the electronic structure of atoms | COMMENT= Quantum chemistry program to solve the electronic structure of atoms | ||||
| LICENSE= GPLv2 | LICENSE= GPLv2 | ||||
| LICENSE_FILE= ${WRKSRC}/COPYING | LICENSE_FILE= ${WRKSRC}/COPYING | ||||
| BUILD_DEPENDS= armadillo>0:math/armadillo | BUILD_DEPENDS= armadillo>0:math/armadillo | ||||
| LIB_DEPENDS= libderiv.so:science/libint \ | LIB_DEPENDS= libderiv.so:science/libint \ | ||||
| libgsl.so:math/gsl \ | libgsl.so:math/gsl \ | ||||
| libhdf5.so:science/hdf5 \ | libhdf5.so:science/hdf5 \ | ||||
| libint.so:science/libint \ | libint.so:science/libint \ | ||||
| libopenblas.so:math/openblas \ | libopenblas.so:math/openblas \ | ||||
| libsz.so:science/szip \ | libsz.so:science/szip \ | ||||
| libxc.so:science/libxc | libxc.so:science/libxc | ||||
| USES= cmake:outsource,noninja fortran localbase:ldflags pkgconfig | FLAVORS= serial parallel | ||||
| FLAVOR?= ${FLAVORS:[1]} | |||||
| serial_PKGNAMESUFFIX= -serial | |||||
| USES= cmake:outsource,noninja fortran pkgconfig | |||||
| USE_GITHUB= yes | USE_GITHUB= yes | ||||
| GH_ACCOUNT= susilehtola | GH_ACCOUNT= susilehtola | ||||
| GH_TAGNAME= f1e1ebc | GH_TAGNAME= 0927d8c | ||||
| USE_LDCONFIG= yes | USE_LDCONFIG= yes | ||||
| TEST_TARGET= test # some tests fail: https://github.com/susilehtola/erkale/issues/29 | TEST_TARGET= test | ||||
| CMAKE_ARGS= -DLAPACK_LIBRARIES=-lopenblas -DBLAS_LIBRARIES=-lopenblasp | |||||
| CMAKE_ON= BUILD_SHARED_LIBS | CMAKE_ON= BUILD_SHARED_LIBS | ||||
| OPTIONS_DEFINE= OPENMP | PLIST_SUB= SUFFIX="${SUFFIX}" | ||||
| OPENMP_CMAKE_BOOL= USE_OPENMP | .if ${FLAVOR} == serial | ||||
| OPENMP_BROKEN= cmake can't fine OpenMP, see https://bugs.freebsd.org/bugzilla/show_bug.cgi?id=223678 | CMAKE_OFF= USE_OPENMP | ||||
| .else # parallel | |||||
| CMAKE_ON+= USE_OPENMP | |||||
| LIB_DEPENDS+= libomp.so:devel/openmp | |||||
| SUFFIX= _omp | |||||
| .endif | |||||
| OPTIONS_SINGLE= LINALG | |||||
| OPTIONS_SINGLE_LINALG= NETLIB OPENBLAS | |||||
| OPTIONS_DEFAULT= NETLIB | |||||
| LINALG_DESC= Linear algebra library | |||||
| NETLIB_USES= blaslapack:netlib | |||||
| NETLIB_CMAKE_ON= -DLAPACK_LIBRARIES:STRING=-llapack -DBLAS_LIBRARIES:STRING=-lblas | |||||
| NETLIB_LDFLAGS= ${LOCALBASE}/lib/libcblas.so ${LOCALBASE}/lib/liblapack.so ${LOCALBASE}/lib/libblas.so | |||||
| NETLIB_LIB_DEPENDS= libcblas.so:math/cblas | |||||
| OPENBLAS_USES= blaslapack:openblas | |||||
| OPENBLAS_CMAKE_ON= -DLAPACK_LIBRARIES:STRING=-lopenblas -DBLAS_LIBRARIES:STRING=-lopenblasp | |||||
| xOPENBLAS_BROKEN= hits the number of threads limit: https://github.com/xianyi/OpenBLAS/issues/1882 | |||||
| # use clang from ports because cmake can't find OpenMP with base clang, see https://bugs.freebsd.org/bugzilla/show_bug.cgi?id=223678 | |||||
| # have the same compiler for both serial and parallel flavors so that performance numbers can be compared | |||||
| BUILD_DEPENDS+= clang${LLVM_DEFAULT}:devel/llvm${LLVM_DEFAULT} | |||||
| CPP= clang-cpp${LLVM_DEFAULT} | |||||
| CC= clang${LLVM_DEFAULT} | |||||
| CXX= clang++${LLVM_DEFAULT} | |||||
| .if ${FLAVOR} == parallel | |||||
| post-install: | |||||
| @${MV} ${STAGEDIR}${PREFIX}/include/erkale ${STAGEDIR}${PREFIX}/include/erkale${SUFFIX} | |||||
| @${MV} ${STAGEDIR}${PREFIX}/bin/erkale_bastool ${STAGEDIR}${PREFIX}/bin/erkale_bastool${SUFFIX} | |||||
| .endif | |||||
| .include <bsd.port.mk> | .include <bsd.port.mk> | ||||