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PORTNAME= nlcglib
DISTVERSIONPREFIX= v
DISTVERSION= 1.0b-20230622
PORTREVISION= 2
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 <bsd.port.mk>
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