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Update setup.py
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bobbypaton authored May 24, 2021
1 parent 6ad9f88 commit 4852c5d
Showing 1 changed file with 7 additions and 8 deletions.
15 changes: 7 additions & 8 deletions setup.py
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long_description = f.read()

setup(
name='goodvibes',
packages=['goodvibes'],
version='3.1.0',
description='A python program to compute corrections to thermochemical data from frequency calculations',
name='pyQRC',
packages=['pyQRC'],
version='1.0.1',
description='A python program to project computed structures along computed normal modes and perform a Quick Reaction Coordinate calculation',
long_description=long_description,
long_description_content_type='text/markdown',
author='Paton Research Group',
author_email='[email protected]',
url='https://github.com/bobbypaton/goodvibes',
download_url='https://github.com/bobbypaton/GoodVibes/archive/v3.0.1.zip',
keywords=['compchem', 'thermochemistry', 'gaussian', 'vibrational-entropies', 'temperature'],
url='https://github.com/bobbypaton/pyQRC',
download_url='https://github.com/bobbypaton/pyQRC/archive/v1.0.1.zip',
keywords=['compchem', 'thermochemistry', 'gaussian', 'imaginary frequencies', 'intrinsic reaction coordinate', 'normal modes'],
classifiers=[],
install_requires=["numpy", ],
python_requires='>=2.6',
include_package_data=True,
)

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