Add py-thirdorder recipe (#12791)
* Add Thirdorder recipe * Remove white spaces * Converting recipe to a PythonPackage base class * remove trailing spaces * remove line at end of file * enhance recipe as per reviewer * fix post_install as requested by reviewer * rename dir to py-thirderorder * change checksum to sha256
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var/spack/repos/builtin/packages/py-thirdorder/package.py
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var/spack/repos/builtin/packages/py-thirdorder/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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class PyThirdorder(PythonPackage):
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"""It helps ShengBTE users create FORCE_CONSTANTS_3RD files efficiently"""
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homepage = "http://www.shengbte.org"
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url = "http://www.shengbte.org/downloads/thirdorder-v1.1.1-8526f47.tar.bz2"
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version('1.1.1-8526f47', '5e1cc8d6ffa7efdb7325c397ca236863ea8a9c5bed1c558acca68b140f89167e')
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depends_on('py-numpy', type=('build', 'run'))
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depends_on('py-scipy', type=('build', 'run'))
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depends_on('spglib', type=('build', 'run'))
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def patch(self):
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setupfile = FileFilter('setup.py')
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setupfile.filter('LIBRARY_DIRS = .*', 'LIBRARY_DIRS = ["%s"]'
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% self.spec['spglib'].prefix.lib)
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setupfile.filter('INCLUDE_DIRS = .*', 'INCLUDE_DIRS = ["%s"]'
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% self.spec['spglib'].prefix.include)
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sourcefile = FileFilter('thirdorder_core.c')
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sourcefile.filter('#include "spglib.*"', '#include "spglib.h"')
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@run_after('install')
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def post_install(self):
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mkdirp(self.prefix.bin)
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install('thirdorder_espresso.py', self.prefix.bin)
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install('thirdorder_vasp.py', self.prefix.bin)
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install('thirdorder_castep.py', self.prefix.bin)
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install('thirdorder_common.py', self.prefix.bin)
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