Add ADF (#14423)
* Add ADF * Fix typo and lint * fix lint again * one more lint fix * fix identation * still stying to fix identation * one final fix * import needed libraries * changes as per reviewer's request fix setup environment function, enhance recipe * add import os once again * chnages as per reviewer's request
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var/spack/repos/builtin/packages/adf/package.py
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var/spack/repos/builtin/packages/adf/package.py
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# Copyright 2013-2019 Lawrence Livermore National Security, LLC and other
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# Spack Project Developers. See the top-level COPYRIGHT file for details.
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#
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# SPDX-License-Identifier: (Apache-2.0 OR MIT)
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from spack import *
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import os
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class Adf(Package):
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"""Amsterdam Density Functional (ADF) is a program for first-principles
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electronic structure calculations that makes use of density functional
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theory."""
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homepage = "https://www.scm.com/product/adf/"
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version('2017.113', '666ef15d253b74c707dd14da35e7cf283ca20e21e24ed43cb953fb9d1f2f1e15')
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def url_for_version(self, version):
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return "file://{0}/adf/adf{1}.pc64_linux.openmpi.bin.tgz".format(
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os.getcwd(), version)
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# Licensing
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license_required = True
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license_files = ['license.txt']
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license_vars = ['SCMLICENSE']
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def setup_run_environment(self, env):
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env.set('ADFHOME', self.prefix)
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env.set('ADFBIN', self.prefix.bin)
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env.set('ADFRESOURCES', self.prefix.atomicdata)
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env.set('SCMLICENSE', join_path(self.prefix, 'license.txt'))
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env.set('SCM_TMPDIR', '/tmp')
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def install(self, spec, prefix):
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install_tree('.', prefix)
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