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61 lines
1.5 KiB
Makefile
61 lines
1.5 KiB
Makefile
# $FreeBSD$
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PORTNAME= jdftx
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DISTVERSIONPREFIX= v
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DISTVERSION= 1.4.2-74
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PORTREVISION= 2
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DISTVERSIONSUFFIX= -gba743849
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CATEGORIES= science
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MAINTAINER= yuri@FreeBSD.org
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COMMENT= Software for joint density functional theory in chemistry
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LICENSE= GPLv3+
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LICENSE_FILE= ${WRKSRC}/COPYING
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BUILD_DEPENDS= bash:shells/bash
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LIB_DEPENDS= libblas.so:math/blas \
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libcblas.so:math/cblas \
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libfftw3.so:math/fftw3 \
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libgsl.so:math/gsl \
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liblapack.so:math/lapack
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RUN_DEPENDS= bash:shells/bash
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TEST_DEPENDS= bash:shells/bash
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USES= cmake:outsource fortran localbase:ldflags shebangfix
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SHEBANG_GLOB= *.sh
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SHEBANG_FILES= scripts/*
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SHEBANG_LANG= octave
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USE_GITHUB= yes
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GH_ACCOUNT= shankar1729
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USE_LDCONFIG= yes
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TEST_TARGET= test
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WRKSRC_SUBDIR= ${PORTNAME}
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CMAKE_ARGS= -DLAPACK_LIBRARIES:STRING="-llapack -lblas"
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OPTIONS_DEFINE= MPI LIBXC HDF5 SCALAPACK OCTAVE
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OPTIONS_DEFAULT= MPI LIBXC
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MPI_CMAKE_BOOL= EnableMPI
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MPI_LIB_DEPENDS= libmpich.so:net/mpich
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LIBXC_DESC= Use LibXC for additional exchange-correlation functionals
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LIBXC_CMAKE_BOOL= EnableLibXC
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LIBXC_LIB_DEPENDS= libxc.so:science/libxc
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HDF5_CMAKE_BOOL= EnableHDF5
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HDF5_LIB_DEPENDS= libhdf5.so:science/hdf5
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HDF5_BROKEN= use of undeclared identifier 'H5Pset_dxpl_mpio' # https://github.com/shankar1729/jdftx/issues/37
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SCALAPACK_DESC= Enable ScaLAPACK support
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SCALAPACK_CMAKE_BOOL= EnableScaLAPACK
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SCALAPACK_LIB_DEPENDS= libscalapack.so:math/scalapack
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OCTAVE_DESC= With Octave support (only for one script: dryRunToPDB)
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OCTAVE_USES= octave
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.include <bsd.port.mk>
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