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5f341a2ffb
mpich2 is the obsolete version 2.x, mpich is at the current version 3.x Ports: math/scalapack science/nwchem science/quantum-espresso science/qmcpack science/madness science/qbox science/openmx science/jdftx science/fleur science/libgridxc science/mdynamix science/lm science/dftbplus science/py-gpaw devel/ga math/elpa net/charm science/gromacs math/pari math/arpack-ng-mpich
64 lines
1.8 KiB
Makefile
64 lines
1.8 KiB
Makefile
# $FreeBSD$
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PORTNAME= fleur
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DISTVERSION= 0.27-3 # Release 3 of Version 0.27
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PORTREVISION= 3
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CATEGORIES= science
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MASTER_SITES= http://www.flapw.de/pm/uploads/FLEUR/
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DISTNAME= fleurMaXR${DISTVERSION:C/.*-//}
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MAINTAINER= yuri@FreeBSD.org
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COMMENT= FLAPW code for atomic computations in quantum chemistry and physics
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LICENSE= MIT
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LICENSE_FILE= ${WRKSRC}/LICENSE
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LIB_DEPENDS= libopenblas.so:math/openblas
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USES= cmake:outsource,noninja fortran gnome localbase:ldflags tar:tgz
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USE_GNOME= libxml2
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FFLAGS= -I${LOCALBASE}/include
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WRKSRC= ${WRKDIR}/${PORTNAME}
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OPTIONS_DEFINE= HDF5 MPI SCALAPACK ELPA WANNIER
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OPTIONS_DEFAULT= MPI SCALAPACK ELPA WANNIER
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HDF5_CONFIGURE_ENV= FLEUR_USE_HDF5=1 HDF5_ROOT=${LOCALBASE}/lib
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HDF5_CONFIGURE_ENV_OFF= FLEUR_USE_HDF5=0
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HDF5_CMAKE_ARGS= -DHDF5_INCLUDE_DIRS=${LOCALBASE}/include
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HDF5_LDFLAGS= -lhdf5
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HDF5_LIB_DEPENDS= libhdf5.so:science/hdf5
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HDF5_BROKEN= Missing hdf5.mod in hdf5
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MPI_CONFIGURE_ENV= FLEUR_USE_MPI=1
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MPI_CONFIGURE_ENV_OFF= FLEUR_USE_MPI=0
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MPI_LDFLAGS= -lmpich -lmpifort
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MPI_LIB_DEPENDS= libmpich.so:net/mpich
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MPI_PLIST_FILES= bin/fleur_MPI
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SCALAPACK_DESC= Use the ScaLAPACK Scalable LAPACK library
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SCALAPACK_CMAKE_BOOL= FREEBSD_USE_SCALAPACK
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SCALAPACK_LDFLAGS= -lscalapack
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SCALAPACK_LIB_DEPENDS= libscalapack.so:math/scalapack
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SCALAPACK_IMPLIES= MPI
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ELPA_DESC= Use libelpa, Eigenvalue SoLver for Petaflop Applications
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ELPA_CMAKE_BOOL= FREEBSD_USE_ELPA
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ELPA_VARS= FFLAGS+=-I${LOCALBASE}/include/elpa-2018.05.001/modules
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ELPA_LDFLAGS= -lelpa
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ELPA_LIB_DEPENDS= libelpa.so:math/elpa
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ELPA_IMPLIES= MPI
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WANNIER_DESC= Use Wannier library
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WANNIER_CONFIGURE_ENV= FLEUR_USE_WANNIER=1
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WANNIER_CONFIGURE_ENV_OFF= FLEUR_USE_WANNIER=0
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WANNIER_LDFLAGS= -lwannier
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WANNIER_LIB_DEPENDS= libwannier.so:science/wannier90
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PLIST_FILES= bin/fleur \
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bin/inpgen
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.include <bsd.port.mk>
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