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""" | ||
protex | ||
Proton exchange using SAMS and openMM for ionic liquids | ||
""" | ||
import sys | ||
from setuptools import setup | ||
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from setuptools import find_packages, setup | ||
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short_description = __doc__.split("\n") | ||
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# from https://github.com/pytest-dev/pytest-runner#conditional-requirement | ||
needs_pytest = {"pytest", "test", "ptr"}.intersection(sys.argv) | ||
pytest_runner = ["pytest-runner"] if needs_pytest else [] | ||
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try: | ||
with open("README.md") as handle: | ||
long_description = handle.read() | ||
except: | ||
long_description = "\n".join(short_description[2:]) | ||
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setup( | ||
# Self-descriptive entries which should always be present | ||
name="protex", | ||
author="Marcus Wieder", | ||
author_email="[email protected]", | ||
description=short_description[0], | ||
long_description=long_description, | ||
long_description_content_type="text/markdown", | ||
use_scm_version=True, | ||
license="MIT", | ||
# Which Python importable modules should be included when your package is installed | ||
# Handled automatically by setuptools. Use 'exclude' to prevent some specific | ||
# subpackage(s) from being added, if needed | ||
packages=find_packages(), | ||
# Optional include package data to ship with your package | ||
# Customize MANIFEST.in if the general case does not suit your needs | ||
# Comment out this line to prevent the files from being packaged with your software | ||
include_package_data=True, | ||
# Allows `setup.py test` to work correctly with pytest | ||
setup_requires=["setuptools_scm"] + pytest_runner, | ||
# Additional entries you may want simply uncomment the lines you want and fill in the data | ||
# url='http://www.my_package.com', # Website | ||
# install_requires=[], # Required packages, pulls from pip if needed; do not use for Conda deployment | ||
# platforms=['Linux', | ||
# 'Mac OS-X', | ||
# 'Unix', | ||
# 'Windows'], # Valid platforms your code works on, adjust to your flavor | ||
# python_requires=">=3.5", # Python version restrictions | ||
# Manual control if final package is compressible or not, set False to prevent the .egg from being made | ||
# zip_safe=False, | ||
) | ||
setup() |