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setup.py
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from setuptools import setup, find_packages
import os
module_dir = os.path.dirname(os.path.abspath(__file__))
reqs_raw = open(os.path.join(module_dir, "requirements.txt")).read()
# reqs_list = [r.replace("==", ">=") for r in reqs_raw.split("\n")]
reqs_list = [r for r in reqs_raw.split("\n")]
if __name__ == "__main__":
with open(os.path.join(module_dir, "VERSION"), "r") as f:
version = f.read()
setup(
name='amlt',
version=version,
description='automated generation of MLIP training sets',
long_description="Automated generation of machine learned interatomic potential training sets"
"https://github.com/MTD-group/amlt",
url='https://github.com/MTD-group/amlt',
author=['Michael Waters', 'Nicholas Wagner'],
author_email='michael.j.waters@northwestern.edu',
license='modified BSD',
packages=find_packages(where=".", exclude=("benchdev", "benchdev.*")),
package_data={},
zip_safe=False,
install_requires=reqs_list,
extras_require={},
classifiers=['Programming Language :: Python :: 3.6',
'Development Status :: 3 - Alpha',
'Intended Audience :: Science/Research',
'Intended Audience :: System Administrators',
'Intended Audience :: Information Technology',
'Operating System :: OS Independent',
'Topic :: Other/Nonlisted Topic',
'Topic :: Scientific/Engineering'],
test_suite='amlt',
tests_require='tests'
)