68 lines
2.6 KiB
Python
68 lines
2.6 KiB
Python
##############################################################################
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# Copyright (c) 2013-2018, Lawrence Livermore National Security, LLC.
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# Produced at the Lawrence Livermore National Laboratory.
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#
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# This file is part of Spack.
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# Created by Todd Gamblin, tgamblin@llnl.gov, All rights reserved.
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# LLNL-CODE-647188
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#
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# For details, see https://github.com/spack/spack
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# Please also see the NOTICE and LICENSE files for our notice and the LGPL.
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#
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# This program is free software; you can redistribute it and/or modify
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# it under the terms of the GNU Lesser General Public License (as
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# published by the Free Software Foundation) version 2.1, February 1999.
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#
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# This program is distributed in the hope that it will be useful, but
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# WITHOUT ANY WARRANTY; without even the IMPLIED WARRANTY OF
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# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the terms and
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# conditions of the GNU Lesser General Public License for more details.
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#
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# You should have received a copy of the GNU Lesser General Public
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# License along with this program; if not, write to the Free Software
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# Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
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##############################################################################
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from spack import *
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class EtsfIo(Package):
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"""ETSF_IO is a library implementing the Nanoquanta/ETSF file
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format specifications.
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ETSF_IO enables an architecture-independent exchange of crystallographic
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data, electronic wavefunctions, densities and potentials, as well as
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spectroscopic data. It is meant to be used by quantum-physical and
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quantum-chemical applications relying upon Density Functional Theory (DFT).
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"""
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homepage = "http://www.etsf.eu/resources/software/libraries_and_tools"
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url = "https://launchpad.net/etsf-io/1.0/1.0.4/+download/etsf_io-1.0.4.tar.gz"
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version('1.0.4', '32d0f7143278bd925b334c69fa425da1')
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depends_on("netcdf-fortran")
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depends_on("hdf5+mpi~cxx", when='+mpi') # required for NetCDF-4 support
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def install(self, spec, prefix):
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options = ['--prefix=%s' % prefix]
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oapp = options.append
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# Specify installation directory for Fortran module files
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# Default is [INCLUDEDIR/FC_TYPE]
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oapp("--with-moduledir=%s" % prefix.include)
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# Netcdf4/HDF
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hdf_libs = "-L%s -lhdf5_hl -lhdf5" % spec["hdf5"].prefix.lib
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options.extend([
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"--with-netcdf-incs=-I%s" % spec["netcdf-fortran"].prefix.include,
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"--with-netcdf-libs=-L%s -lnetcdff -lnetcdf %s" % (
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spec["netcdf-fortran"].prefix.lib, hdf_libs),
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])
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configure(*options)
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make()
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make("check")
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make("install")
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