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setup.py
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setup.py
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import setuptools
with open("README.md", "r") as readme:
long_description = readme.read()
setuptools.setup(name="ce_expansion",
version="1.0.1",
author="CANELa",
author_email="gmpourmp@pitt.edu",
description="Global optimization of ground-state NP chemical ordering",
long_description=long_description,
long_description_content_type="text/markdown",
url="https://github.com/mpourmpakis/ce_expansion",
project_urls={"Source": "https://github.com/mpourmpakis/ce_expansion",
"Funding": "https://nsf.gov/",
"CANELa Group": "https://mpourmpakis.com/",
"Institution": "https://pitt.edu", },
license="MIT",
platforms=["Windows", "Unix"],
packages=setuptools.find_packages(),
include_package_data=True,
keywords="chemistry computational_chemistry nanoparticles chemical_ordering cohesive_energy atomgraph",
classifiers=["Development Status :: 4 - Beta",
"Environment :: Console",
"Intended Audience :: Education",
"Intended Audience :: Science/Research",
"License :: OSI Approved :: MIT License",
"Operating System :: Microsoft :: Windows",
"Operating System :: Unix",
"Programming Language :: C",
"Programming Language :: Python :: 2.7"
"Programming Language :: Python :: 3",
"Topic :: Scientific/Engineering",
"Topic :: Scientific/Engineering :: Chemistry",
"Topic :: Scientific/Engineering :: Physics",
"Topic :: Scientific/Engineering :: Visualization"],
python_requires=">=3.7",
install_requires=["ase>=3.18.1", "numpy", "matplotlib", "seaborn", "sqlalchemy"],
zip_safe=False)