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setup.py
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"""
Elaskit -- Elastic toolkit for finite-temperature elastic constants calculations
Copyright (C) 2019-2019 by Zhong-Li Liu
This program is free software; you can redistribute it and/or modify it under the
terms of the GNU General Public License as published by the Free Software Foundation
version 3 of the License.
This program is distributed in the hope that it will be useful, but WITHOUT ANY
WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A
PARTICULAR PURPOSE. See the GNU General Public License for more details.
E-mail: [email protected]
"""
try:
from setuptools import setup
except ImportError:
from distutils.core import setup
py_m=["calc_elastic_constants", "calc_stress", "deform_cell_asess_strains", \
"deform_cell_ohess_strains", "deform_cell_ulics", "extract_mean_values", \
"equilibrium_md", "find_spg", "make_conv_cell", "optimize_initial_str", \
"read_input", "relax_atoms_pos", "vasp_run", "sound_velocity", \
"stability_criteria", "strain_matrix", "write_incar"]
setup(
name="elastool",
version="1.0.2",
description="Elastic tool for finite-temperature elastic constants calculations",
author="Zhong-Li Liu",
author_email="[email protected]",
url="https://sourceforge.net/projects/elastool/",
license="GNU GPL version 3",
py_modules=py_m,
package_dir = {'':'elastool'},
scripts=["elastool/elastool"]
)