-
Notifications
You must be signed in to change notification settings - Fork 6
/
Copy pathsetup.py
34 lines (32 loc) · 1.32 KB
/
setup.py
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
from setuptools import setup, find_packages
with open("README.md", 'r') as fr:
description = fr.read()
setup(
name='pyCheckmol',
version='1.1.0',
url='https://github.com/jeffrichardchemistry/pyCheckmol',
license='GNU GPL',
author='Jefferson Richard',
author_email='[email protected]',
keywords='Cheminformatics, Chemistry, checkmol, smiles, quantum-chemistry, Molecules',
description='A package for Cheminformatics.',
long_description = description,
long_description_content_type = "text/markdown",
packages=['pyCheckmol'],
install_requires=['pandas','numpy<=1.24.9'],
include_package_data=True,
scripts=['bin/checkmol-config', 'bin/pycheckmol-config', 'bin/openbabel/openbabelDEBIANS-config','bin/openbabel/openbabelSUSE-config'],
classifiers = [
'Intended Audience :: Developers',
'Intended Audience :: End Users/Desktop',
'Intended Audience :: Science/Research',
'Topic :: Scientific/Engineering :: Chemistry',
'Topic :: Scientific/Engineering :: Physics',
'Topic :: Scientific/Engineering :: Bio-Informatics',
'License :: OSI Approved :: GNU General Public License v3 (GPLv3)',
'Natural Language :: English',
'Operating System :: Unix',
'Programming Language :: Python :: 3',
'Programming Language :: Python :: 3.6',
'Programming Language :: Python :: 3.8']
)