# Copyright 2013-2019 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 * import os class Adf(Package): """Amsterdam Density Functional (ADF) is a program for first-principles electronic structure calculations that makes use of density functional theory.""" homepage = "https://www.scm.com/product/adf/" version('2017.113', '666ef15d253b74c707dd14da35e7cf283ca20e21e24ed43cb953fb9d1f2f1e15') def url_for_version(self, version): return "file://{0}/adf/adf{1}.pc64_linux.openmpi.bin.tgz".format( os.getcwd(), version) # Licensing license_required = True license_files = ['license.txt'] license_vars = ['SCMLICENSE'] def setup_run_environment(self, env): env.set('ADFHOME', self.prefix) env.set('ADFBIN', self.prefix.bin) env.set('ADFRESOURCES', self.prefix.atomicdata) env.set('SCMLICENSE', join_path(self.prefix, 'license.txt')) env.set('SCM_TMPDIR', '/tmp') def install(self, spec, prefix): install_tree('.', prefix)