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setup.py
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setup.py
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from distutils.core import setup
import setuptools # noqa
with open("README.md") as fh:
long_description = fh.read()
setup(
name="xtal_lego",
version="0.0.1",
author="Qiang Zhu",
author_email="[email protected]",
description="Crystal builder from LEGO like Blocks",
long_description=long_description,
long_description_content_type="text/markdown",
url="https://github.com/MaterSim/xtal_lego",
packages=[
"xtal_lego",
],
#package_data={
# "pyxtal.database": ["*.csv", "*.json", "*.db"],
# "pyxtal.database.cifs": ["*.cif", "*.vasp"],
# "pyxtal.potentials": ["*"],
#},
classifiers=[
"Programming Language :: Python :: 3",
"License :: OSI Approved :: MIT License",
"Operating System :: OS Independent",
],
install_requires=[
"pyxtal>=1.0.1",
"juliacall",
#"importlib_metadata>=1.4",
#"typing-extensions>=4.12",
],
extras_require={
"test": ["wheel", "pytest", "coverage", "pytest-cov", "monty>=2024.2.26"],
},
python_requires=">=3.9",
license="MIT",
)