PORTNAME= nlcglib DISTVERSIONPREFIX= v DISTVERSION= 1.0b-20230622 DISTVERSIONSUFFIX= -gac293eb CATEGORIES= science MAINTAINER= yuri@FreeBSD.org COMMENT= Nonlinear CG methods for wave-function optimization in DFT WWW= https://github.com/simonpintarelli/nlcglib LICENSE= BSD3CLAUSE LICENSE_FILE= ${WRKSRC}/LICENSE BUILD_DEPENDS= nlohmann-json>0:devel/nlohmann-json LIB_DEPENDS= libkokkoscore.so:devel/kokkos \ libopenblas.so:math/openblas TEST_DEPENDS= googletest>0:devel/googletest USES= cmake:testing pkgconfig USE_LDCONFIG= yes USE_GITHUB= yes GH_ACCOUNT= simonpintarelli CMAKE_TESTING_ON= BUILD_TESTS # tests fail to compile, see https://github.com/simonpintarelli/nlcglib/issues/19 OPTIONS_DEFINE= OPENMP OPTIONS_SINGLE= MPI OPTIONS_SINGLE_MPI= MPICH OPENMPI OPTIONS_DEFAULT= MPICH OPENMP MPICH_USES= mpi:mpich OPENMPI_USES= mpi:openmpi OPENMP_CMAKE_BOOL= USE_OPENMP # binaries are still linked with libomp when USE_OPENMP=OFF, see https://github.com/simonpintarelli/nlcglib/issues/13 .include