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setup.py
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39 lines (34 loc) · 1.33 KB
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#!/usr/bin/env python
"""Setup & Install Script."""
from setuptools import setup, find_packages
setup(
name="ffprime",
version="0.0.0",
description="Force Field derivation and evaluation.",
author="QcDevs Team",
package_dir={"ffprime": "ffprime"},
packages=find_packages(),
entry_points={
"console_scripts": [
"ffprime = ffprime.scripts.main:main",
],
},
install_requires=[
"numpy",
"scipy==1.16.2",
"matplotlib",
"horton",
"qc-iodata @ git+https://github.com/theochem/iodata.git@main#egg=qc-iodata",
"qc-grid @ git+https://github.com/theochem/grid.git@master#egg=qc-grid",
"qc-gbasis @ git+https://github.com/theochem/gbasis.git@master#egg=qc-gbasis",
"denspart@ git+https://github.com/theochem/denspart.git@main#egg=denspart",
"qc-atomdb @ git+https://github.com/theochem/AtomDB.git@master#egg=qc-atomdb",
],
dependency_links=[
"git+https://github.com/theochem/iodata.git@main#egg=qc-iodata",
"git+https://github.com/theochem/grid.git@main#egg=qc-grid",
"git+https://github.com/theochem/gbasis.git@main#egg=qc-gbasis",
"git+https://github.com/theochem/denspart.git@main#egg=denspart",
"git+https://github.com/theochem/AtomDB.git@master#egg=qc-atomdb",
],
)