c0672eb641
* 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
38 lines
1.4 KiB
Python
38 lines
1.4 KiB
Python
# 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)
|