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setup.py
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54 lines (49 loc) · 2.24 KB
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import os
import glob
from setuptools import setup, find_packages
SETUP_PTH = os.path.dirname(os.path.abspath(__file__))
def readme():
with open('README.rst') as f:
return f.read()
setup(
name="pydii",
packages=find_packages(),
version="1.9.0",
install_requires=["pymatgen>=2020.1", "sympy>=1.0", "numpy>=1.13"],
author="Bharat Medasani, Enze Chen",
author_email="[email protected], [email protected]",
url="http://github.com/mbkumar/pydii",
description="PyDII is a python tool to evaluate point defect "
"concentrations and micro-alloy solute site preference "
"in intermetallics.",
long_description=readme(),
classifiers=[
"Programming Language :: Python :: 3.4",
"Development Status :: 1 - Beta",
"Intended Audience :: Science/Research",
"License :: OSI Approved :: MIT License",
"Operating System :: OS Independent",
"Topic :: Scientific/Engineering :: Information Analysis",
"Topic :: Scientific/Engineering :: Physics",
"Topic :: Scientific/Engineering :: Chemistry",
"Topic :: Software Development :: Libraries :: Python Modules"
],
license="MIT",
scripts=glob.glob(os.path.join(SETUP_PTH, "scripts", "*")),
test_suite='nose.collector',
tests_require=['nose'],
entry_points={
'console_scripts':[
'gen_def_structure=pydii.scripts.gen_def_structure:'
'im_vac_antisite_def_struct_gen',
'gen_def_energy=pydii.scripts.gen_def_energy:'
'im_vac_antisite_def_energy_parse',
'gen_def_profile=pydii.scripts.gen_def_profile:'
'im_vac_antisite_def_profile',
'gen_sol_pref_structure=pydii.scripts.gen_def_structure:'
'im_sol_sub_def_struct_gen',
'gen_sol_def_energy=pydii.scripts.gen_def_energy:'
'im_sol_sub_def_energy_parse',
'gen_sol_site_pref=pydii.scripts.gen_def_profile:'
'im_sol_sub_def_profile']}
)