Fixed gamess for STO

This commit is contained in:
Anthony Scemama 2020-05-11 22:48:29 +02:00
parent 698a592251
commit c37c5a441c
3 changed files with 26 additions and 24 deletions

2
MANIFEST.in Normal file
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include README.md

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setup.cfg Normal file
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[metadata]
description-file = README.md

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# 31062 Toulouse Cedex 4 # 31062 Toulouse Cedex 4
# scemama@irsamc.ups-tlse.fr # scemama@irsamc.ups-tlse.fr
import sys
import setuptools
from distutils.core import setup with open("README.md", "r") as fh:
long_description = fh.read()
""" setuptools.setup(
- To create a source distribution, run: name="resultsFile",
version='2.0',
python setup.py sdist author="Anthony Scemama",
author_email="scemama@irsamc.ups-tlse.fr",
- To install the module, run: description="Module for reading output files of quantum chemistry codes.",
long_description=long_description,
python setup.py install long_description_content_type="text/markdown",
url="https://gitlab.com/scemama/resultsFile",
- To create an rpm distribution download_url="https://gitlab.com/scemama/resultsFile/-/archive/v2.0/resultsFile-v2.0.tar.gz",
packages=setuptools.find_packages(),
python setup.py bdist_rpm classifiers=[
""" "Programming Language :: Python :: 3",
"License :: OSI Approved :: GNU General Public License v2 or later (GPLv2+)",
import os "Operating System :: POSIX :: Linux",
setup(name="resultsFile", ],
version=os.getenv("VERSION","1.0"), keywords = ['quantum chemistry', 'GAMESS', 'Gaussian', 'Molpro'],
author="Anthony Scemama", )
author_email="scemama@irsamc.ups-tlse.fr",
license="gpl-license",
description="Module for I/O on Quantum Chemistry files.",
packages=["resultsFile","resultsFile.lib","resultsFile.Modules"]
)