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# Copyright 2013-2023 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.package import *
class PyThirdorder(PythonPackage):
"""It helps ShengBTE users create FORCE_CONSTANTS_3RD files efficiently"""
homepage = "https://www.shengbte.org"
url = "http://www.shengbte.org/downloads/thirdorder-v1.1.1-8526f47.tar.bz2"
# Deprecated because download doesn't work
version(
"1.1.1-8526f47",
sha256="5e1cc8d6ffa7efdb7325c397ca236863ea8a9c5bed1c558acca68b140f89167e",
deprecated=True,
)
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)
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