Index: head/science/erkale/Makefile =================================================================== --- head/science/erkale/Makefile (revision 488077) +++ head/science/erkale/Makefile (revision 488078) @@ -1,74 +1,76 @@ # $FreeBSD$ PORTNAME= erkale DISTVERSION= g20181121 PORTREVISION= 3 CATEGORIES= science MAINTAINER= yuri@FreeBSD.org COMMENT= Quantum chemistry program to solve the electronic structure of atoms LICENSE= GPLv2 LICENSE_FILE= ${WRKSRC}/COPYING +BROKEN_i386= liberkale_omp.so.0.1.0: undefined reference to `__atomic_compare_exchange' + BUILD_DEPENDS= armadillo>0:math/armadillo LIB_DEPENDS= libderiv.so:science/libint \ libgsl.so:math/gsl \ libhdf5.so:science/hdf5 \ libint.so:science/libint \ libopenblas.so:math/openblas \ libsz.so:science/szip \ libxc.so:science/libxc FLAVORS= serial parallel FLAVOR?= ${FLAVORS:[1]} serial_PKGNAMESUFFIX= -serial USES= cmake:outsource,noninja fortran pkgconfig USE_GITHUB= yes GH_ACCOUNT= susilehtola GH_TAGNAME= 0927d8c USE_LDCONFIG= yes TEST_TARGET= test CMAKE_ON= BUILD_SHARED_LIBS PLIST_SUB= SUFFIX="${SUFFIX}" .if ${FLAVOR} == serial 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