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Pin scipy in setupy.py
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orionarcher committed May 7, 2024
1 parent be87a45 commit b8dae8d
Showing 1 changed file with 16 additions and 21 deletions.
37 changes: 16 additions & 21 deletions setup.py
Original file line number Diff line number Diff line change
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SolvationAnalysis
An MDAnalysis rmodule for solvation analysis.
"""

import sys
from setuptools import setup, find_packages
import versioneer

short_description = __doc__.split("\n")

# 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 []
needs_pytest = {"pytest", "test", "ptr"}.intersection(sys.argv)
pytest_runner = ["pytest-runner"] if needs_pytest else []

try:
with open("README.md", "r") as handle:
long_description = handle.read()
except:
except: # noqa
long_description = "\n".join(short_description[2:])


setup(
# Self-descriptive entries which should always be present
name='solvation_analysis',
author='Orion Cohen',
author_email='[email protected]',
name="solvation_analysis",
author="Orion Cohen",
author_email="[email protected]",
description=short_description[0],
long_description=long_description,
long_description_content_type="text/markdown",
version=versioneer.get_version(),
cmdclass=versioneer.get_cmdclass(),
license='GNU Public License v3',

license="GNU Public License v3",
# 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=[] + pytest_runner,

install_requires=[
'numpy>=1.20.0',
'mdanalysis>=2.7.0',
'pandas',
'matplotlib',
'scipy',
'statsmodels',
'plotly',
'rdkit'
"numpy>=1.20.0",
"mdanalysis>=2.7.0",
"pandas",
"matplotlib",
"scipy==0.12.0",
"statsmodels",
"plotly",
"rdkit",
],
# Additional entries you may want simply uncomment the lines you want and fill in the data
# url='http://www.my_package.com', # Website
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# '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,

)

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