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
47 lines
1.7 KiB
Python
47 lines
1.7 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 Ape(Package):
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"""A tool for generating atomic pseudopotentials within a Density-Functional
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Theory framework"""
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homepage = "http://www.tddft.org/programs/APE/"
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url = "http://www.tddft.org/programs/APE/sites/default/files/ape-2.2.1.tar.gz"
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version('2.2.1', sha256='1bdb7f987fde81f8a5f335da6b59fa884e6d185d4a0995c90fde7c04376ce9e3')
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depends_on('gsl')
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depends_on('libxc@:4.999', when='@2.3.0:')
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depends_on('libxc@:2.2.2', when='@:2.2.1')
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def install(self, spec, prefix):
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args = []
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args.extend([
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'--prefix=%s' % prefix,
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'--with-gsl-prefix=%s' % spec['gsl'].prefix,
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'--with-libxc-prefix=%s' % spec['libxc'].prefix
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])
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# When preprocessor expands macros (i.e. CFLAGS) defined as quoted
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# strings the result may be > 132 chars and is terminated.
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# This will look to a compiler as an Unterminated character constant
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# and produce Line truncated errors. To overcome this, add flags to
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# let compiler know that the entire line is meaningful.
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# TODO: For the lack of better approach, assume that clang is mixed
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# TODO: with GNU fortran.
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if (spec.satisfies('%apple-clang') or
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spec.satisfies('%clang') or
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spec.satisfies('%gcc')):
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args.extend([
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'FCFLAGS=-O2 -ffree-line-length-none'
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])
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configure(*args)
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make()
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make('install')
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