a8ccb8e116
- [x] add `concretize.lp`, `spack.yaml`, etc. to licensed files
- [x] update all licensed files to say 2013-2021 using
`spack license update-copyright-year`
- [x] appease mypy with some additions to package.py that needed
for oneapi.py
33 lines
1.0 KiB
Python
33 lines
1.0 KiB
Python
# Copyright 2013-2021 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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class AtomDft(MakefilePackage):
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"""ATOM is a program for DFT calculations in atoms and pseudopotential
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generation."""
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homepage = "https://departments.icmab.es/leem/siesta/Pseudopotentials/"
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url = "https://departments.icmab.es/leem/siesta/Pseudopotentials/Code/atom-4.2.6.tgz"
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version('4.2.6', sha256='489f0d883af35525647a8b8f691e7845c92fe6b5a25b13e1ed368edfd0391ed2')
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depends_on('libgridxc')
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depends_on('xmlf90')
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def edit(self, spec, prefix):
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copy('arch.make.sample', 'arch.make')
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@property
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def build_targets(self):
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return ['XMLF90_ROOT=%s' % self.spec['xmlf90'].prefix,
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'GRIDXC_ROOT=%s' % self.spec['libgridxc'].prefix,
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'FC=fc']
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def install(self, spec, prefix):
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mkdir(prefix.bin)
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install('atm', prefix.bin)
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