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PORTNAME= gbtolib
DISTVERSION= 3.0.3
PORTREVISION= 5
CATEGORIES= science # chemistry, physics
MASTER_SITES= https://zenodo.org/record/5798035/files/
DISTNAME= GBTOLib-${DISTVERSION}
MAINTAINER= yuri@FreeBSD.org
COMMENT= High-performance library for evaluation of molecular integrals
WWW= https://zenodo.org/record/5798035 #.Yo1sazXMKV4
LICENSE= GPLv3
LICENSE_FILE= ${WRKSRC}/COPYING
BROKEN_powerpc64= compilation fails in the Fortran code: Error: Kind -1 not supported for type REAL at (1)
BROKEN_powerpc64le= compilation fails in the Fortran code: Error: Kind -1 not supported for type REAL at (1)
.if !exists(/usr/include/omp.h)
BROKEN= requires OpenMP support that is missing on this architecture
.endif
LIB_DEPENDS= libopenblas.so:math/openblas
USES= cmake fortran zip
CMAKE_ON= BUILD_SHARED_LIBS
CMAKE_OFF= BUILD_DOC BUILD_TESTING
FFLAGS= -fdefault-integer-8
OPTIONS_DEFINE= MPI
MPI_CMAKE_BOOL= WITH_MPI
MPI_CMAKE_ON= -DMPIEXEC_EXECUTABLE=${LOCALBASE}/bin/mpiexec
MPI_BROKEN= MPI build fails with error: Failed to detemine MPI integer interface.
.include <bsd.port.mk>
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