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# $FreeBSD$
PORTNAME= latte
DISTVERSIONPREFIX= v
DISTVERSION= 1.2.1
PORTREVISION= 1
CATEGORIES= science
MAINTAINER= yuri@FreeBSD.org
COMMENT= Quantum chemistry: Density functional tight binding molecular dynamics
LICENSE= GPLv3
LICENSE_FILE= ${WRKSRC}/LICENSE_GPL-2.0
USES= blaslapack:openblas cmake:noninja fortran shebangfix
SHEBANG_FILES= tests/run_test.sh
USE_GITHUB= yes
GH_ACCOUNT= lanl
GH_PROJECT= ${PORTNAME:tu}
USE_LDCONFIG= yes
CMAKE_SOURCE_PATH= ${WRKSRC}/cmake
CMAKE_ON= BUILD_SHARED_LIBS
CMAKE_ARGS= -DBLA_VENDOR:STRING="OpenBLAS"
OPTIONS_DEFINE= DBCSR OPENMP MPI # TODO PROGRESS needs to be ported
OPTIONS_DEFAULT= OPENMP MPI
DBCSR_DESC= Use distributed block compressed sparse row matrix library
DBCSR_CMAKE_BOOL= DBCSR_OPT
DBCSR_LIB_DEPENDS= libdbcsr.so:math/dbcsr
DBCSR_BROKEN= see https://github.com/lanl/LATTE/issues/92
OPENMP_CMAKE_BOOL= OPENMP
OPENMP_LIB_DEPENDS= libomp.so:devel/openmp
MPI_CMAKE_BOOL= DO_MPI
MPI_LIB_DEPENDS= libmpi.so:net/openmpi
MPI_LDFLAGS= ${LOCALBASE}/mpi/openmpi/lib/libmpi_mpifh.so
MPI_PLIST_FILES= bin/LATTE_MPI_DOUBLE
MPI_PLIST_FILES_OFF= bin/LATTE_DOUBLE
PLIST_FILES= lib/liblatte.so
CONFLICTS_INSTALL= latte-integrale
.include <bsd.port.mk>
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