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Diffstat (limited to 'var/spack/repos/builtin/packages/etsf_io/package.py')
-rw-r--r-- | var/spack/repos/builtin/packages/etsf_io/package.py | 67 |
1 files changed, 67 insertions, 0 deletions
diff --git a/var/spack/repos/builtin/packages/etsf_io/package.py b/var/spack/repos/builtin/packages/etsf_io/package.py new file mode 100644 index 0000000000..c1e6f2eded --- /dev/null +++ b/var/spack/repos/builtin/packages/etsf_io/package.py @@ -0,0 +1,67 @@ +############################################################################## +# Copyright (c) 2013-2016, Lawrence Livermore National Security, LLC. +# Produced at the Lawrence Livermore National Laboratory. +# +# This file is part of Spack. +# Created by Todd Gamblin, tgamblin@llnl.gov, All rights reserved. +# LLNL-CODE-647188 +# +# For details, see https://github.com/llnl/spack +# Please also see the LICENSE file for our notice and the LGPL. +# +# This program is free software; you can redistribute it and/or modify +# it under the terms of the GNU Lesser General Public License (as +# published by the Free Software Foundation) version 2.1, February 1999. +# +# This program is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the IMPLIED WARRANTY OF +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the terms and +# conditions of the GNU Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with this program; if not, write to the Free Software +# Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA +############################################################################## + +from spack import * + + +class EtsfIo(Package): + """ETSF_IO is a library implementing the Nanoquanta/ETSF file + format specifications. + + ETSF_IO enables an architecture-independent exchange of crystallographic + data, electronic wavefunctions, densities and potentials, as well as + spectroscopic data. It is meant to be used by quantum-physical and + quantum-chemical applications relying upon Density Functional Theory (DFT). + """ + + homepage = "http://www.etsf.eu/resources/software/libraries_and_tools" + url = "https://launchpad.net/etsf-io/1.0/1.0.4/+download/etsf_io-1.0.4.tar.gz" + + version('1.0.4', '32d0f7143278bd925b334c69fa425da1') + + depends_on("netcdf-fortran") + depends_on("hdf5+mpi~cxx", when='+mpi') # required for NetCDF-4 support + + def install(self, spec, prefix): + options = ['--prefix=%s' % prefix] + oapp = options.append + + # Specify installation directory for Fortran module files + # Default is [INCLUDEDIR/FC_TYPE] + oapp("--with-moduledir=%s" % prefix.include) + + # Netcdf4/HDF + hdf_libs = "-L%s -lhdf5_hl -lhdf5" % spec["hdf5"].prefix.lib + options.extend([ + "--with-netcdf-incs=-I%s" % spec["netcdf-fortran"].prefix.include, + "--with-netcdf-libs=-L%s -lnetcdff -lnetcdf %s" % ( + spec["netcdf-fortran"].prefix.lib, hdf_libs), + ]) + + configure(*options) + + make() + make("check") + make("install") |