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setup.py
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#!/usr/bin/env python
from pathlib import Path
from setuptools import find_packages, setup
_version = "1.0.0"
MODULE_PATH = Path(__file__).parent
if __name__ == "__main__":
with open(MODULE_PATH / "README.md") as fh:
readme_content = fh.read()
setup(
name="disp",
author="Bonan Zhu",
author_email="[email protected]",
description="Distributed structure prediction",
long_description_content_type="text/markdown",
long_description=readme_content,
version=_version,
install_requires=[
"fireworks>=1.9.5",
"numpy>=1.13",
"click",
"spglib",
"ase",
"pandas",
"pytest",
"mongoengine==0.20.0",
"mongomock==3.20.0",
],
extras_require={"vasp": ["atomate"], "doc": ["sphinx", "sphinx-rtd-theme"]},
packages=find_packages(),
entry_points={
"console_scripts": ["ggulp=disp.cli.cmd_ggulp:main", "disp=disp.cli.cmd_disp:main", "trlaunch=disp.cli.trlaunch:trlaunch"]
},
)