# Copyright 2013-2018 Lawrence Livermore National Security, LLC and other # Spack Project Developers. See the top-level COPYRIGHT file for details. # # SPDX-License-Identifier: (Apache-2.0 OR MIT) 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")