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setup.py
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from setuptools import setup, find_packages
# Get dependencies from requirements.txt file.
with open("requirements.txt", "r") as f:
install_requires = f.readlines()
setup(
name="pormake",
version="0.0.2",
description="Construction of nanoporous materials"
" from topology and building blocks.",
install_requires=install_requires,
author="Sangwon Lee",
author_email="integratedmailsystem@gmail.com",
packages=[
"pormake",
],
package_data={
"pormake": ["database/**/*"],
},
python_requires=">=3.7",
zip_safe=False
)
# PID: make modifications to the user's ASE package to work with secondary connection points 'Xx'
import ase, shutil
data_init = ase.__file__[:-11] + "data/__init__.py"
shutil.copy("ase_data_init_mod.py", data_init)