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PORTNAME= libgridxc
DISTVERSION= 2.0.2
CATEGORIES= science
MASTER_SITES= https://gitlab.com/siesta-project/libraries/${PORTNAME}/-/archive/${DISTVERSION}/
MAINTAINER= yuri@FreeBSD.org
COMMENT= Library to compute the exchange and correlation energy and potentials
WWW= https://gitlab.com/siesta-project/libraries/libgridxc
LICENSE= BSD3CLAUSE
LICENSE_FILE= ${WRKSRC}/COPYING
USES= cmake fortran pkgconfig
USE_LDCONFIG= yes
CMAKE_ON= BUILD_SHARED_LIBS
OPTIONS_SINGLE= MPI
OPTIONS_SINGLE_MPI= NOMPI MPICH OPENMPI
OPTIONS_DEFINE= LIBXC
OPTIONS_DEFAULT= LIBXC MPICH
OPTIONS_SUB= yes
NOMPI_DESC= Build without parallel processing support
MPICH_USES= mpi:mpich
MPICH_CMAKE_ON= -DWITH_MPI=ON
MPICH_VARS= FFLAGS+=-fallow-argument-mismatch
OPENMPI_USES= mpi:openmpi
OPENMPI_CMAKE_ON= -DWITH_MPI=ON
OPENMPI_VARS= FFLAGS+=-fallow-argument-mismatch
LIBXC_DESC= Use libxc for exchange-correlation functionals for DFT
LIBXC_CMAKE_BOOL= WITH_LIBXC
LIBXC_VARS= FCFLAGS+="-I${LOCALBASE}/include" LDFLAGS+="-L${LOCALBASE}/lib -lxcf90"
LIBXC_LIB_DEPENDS= libxc.so:science/libxc
.include <bsd.port.mk>
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