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| -rw-r--r-- | var/spack/repos/builtin/packages/py-thirdorder/package.py | 37 |
1 files changed, 37 insertions, 0 deletions
diff --git a/var/spack/repos/builtin/packages/py-thirdorder/package.py b/var/spack/repos/builtin/packages/py-thirdorder/package.py new file mode 100644 index 0000000000..66b01f0d88 --- /dev/null +++ b/var/spack/repos/builtin/packages/py-thirdorder/package.py @@ -0,0 +1,37 @@ +# Copyright 2013-2019 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) + +from spack import * + + +class PyThirdorder(PythonPackage): + """It helps ShengBTE users create FORCE_CONSTANTS_3RD files efficiently""" + + homepage = "http://www.shengbte.org" + url = "http://www.shengbte.org/downloads/thirdorder-v1.1.1-8526f47.tar.bz2" + + version('1.1.1-8526f47', '5e1cc8d6ffa7efdb7325c397ca236863ea8a9c5bed1c558acca68b140f89167e') + + depends_on('py-numpy', type=('build', 'run')) + depends_on('py-scipy', type=('build', 'run')) + depends_on('spglib', type=('build', 'run')) + + def patch(self): + setupfile = FileFilter('setup.py') + setupfile.filter('LIBRARY_DIRS = .*', 'LIBRARY_DIRS = ["%s"]' + % self.spec['spglib'].prefix.lib) + setupfile.filter('INCLUDE_DIRS = .*', 'INCLUDE_DIRS = ["%s"]' + % self.spec['spglib'].prefix.include) + + sourcefile = FileFilter('thirdorder_core.c') + sourcefile.filter('#include "spglib.*"', '#include "spglib.h"') + + @run_after('install') + def post_install(self): + mkdirp(self.prefix.bin) + install('thirdorder_espresso.py', self.prefix.bin) + install('thirdorder_vasp.py', self.prefix.bin) + install('thirdorder_castep.py', self.prefix.bin) + install('thirdorder_common.py', self.prefix.bin) |