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fix up setup to not fail on wheel upload
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IAlibay committed Aug 9, 2022
1 parent aa23a02 commit fa97e5f
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Showing 2 changed files with 21 additions and 26 deletions.
26 changes: 1 addition & 25 deletions setup.cfg
Original file line number Diff line number Diff line change
@@ -1,15 +1,6 @@
# Helper file to handle all configs
[metdata]
name = MDRestraintsGenerator
description = Enabling the use of restraints in alchemical simulations
long_description = file: README.md
long_description_content_type = 'text/markdown'
author = Irfan Alibay
author_email = [email protected]
license = LGPLv3
license_files =
LICENSE
url = https://github.com/IAlibay/MDRestraintsGenerator/
license_files = LICENSE
classifiers =
Development Status :: 4 - Beta
Intended Audience :: Science/Research
Expand All @@ -19,21 +10,6 @@ classifiers =
Topic :: Scientific/Engineering :: Bio-Informatics
Topic :: Scientific/Engineering :: Chemistry

[options]
zip_safe = False
python_requires = >= 3.8
install_requires =
MDAnalysis>=1.0.0
numpy
scipy<1.8
matplotlib
include_package_data = True
packages = find:

[options.package_data]
* = *.md
MDRestraintsGenerator = "./MDRestraintsGenerator/data/*"

[options.extras_require]
test =
pytest
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21 changes: 20 additions & 1 deletion setup.py
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Expand Up @@ -2,12 +2,31 @@
MDRestraintsGenerator
A framework for generating restraints for MD simulations
"""
from setuptools import setup
from setuptools import setup, find_packages
import versioneer

with open('README.md', 'r') as handle:
long_description = handle.read()

setup(
# Self-descriptive entries which should always be present
version=versioneer.get_version(),
cmdclass=versioneer.get_cmdclass(),
name='MDRestraintsGenerator',
author='Irfan Alibay',
author_email='[email protected]',
description='Enabling the use of restraints in alchemical simulations',
long_description=long_description,
long_description_content_type='text/markdown',
license='LGPLv3',
url='https://github.com/IAlibay/MDRestraintsGenerator/',
packages=find_packages(),
include_package_data=True,
python_requires='>=3.8',
install_requires=[
'MDAnalysis>1.0.0',
'numpy',
'scipy<1.8',
'matplotlib',
],
)

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