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# Copyright 2013-2021 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', sha256='3140c2cde17f578a0e6b63acb27a5f6e9352257a1371a17b9c15c3d0ef078fa4')
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")
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