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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)
import os
from spack import *
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/"
manual_download = True
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)
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