setup.py

#!/usr/bin/env python

__all__ = [
    'VERSION'
]

import os
from pathlib import Path

import setuptools

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

package_src_dir = Path(__file__).parent

MAJOR = 1
MINOR = 1
MICRO = 2
ISRELEASED = True
VERSION = '%d.%d.%d' % (MAJOR, MINOR, MICRO)


def get_docs_url():
    return 'https://comptox.ai/use/index.html'


setuptools.setup(
    name='comptox_ai',
    version=VERSION,
    author='Joseph D. Romano, PhD',
    author_email='joseph.romano@pennmedicine.upenn.edu',
    description='An ontology and knowledge base to support discovery in computational toxicology',
    long_description=long_description,
    long_description_content_type='text/markdown',
    url='https://github.com/jdromano2/comptox_ai',
    packages=setuptools.find_packages(),
    classifiers=[
        'Programming Language :: Python :: 3',
        'License :: OSI Approved :: MIT License',
        'Operating System :: Unix',
        'Operating System :: Microsoft :: Windows',
        'Natural Language :: English',
        'Intended Audience :: Science/Research',
        'Environment :: Console'
    ],
    python_requires='>=3.7',
    include_package_data=True,
    install_requires=[
        'numpy==1.24.4',
        'scipy==1.10.1',
        'pandas',
        'neo4j==4.3.4',
        'networkx==2.6.3',
        'rdflib==5.0.0',
        'openpyxl==3.0.7',
        'owlready2==0.34',
        'PyYAML==5.3.1',
        'ipdb==0.13.9',
        'pytest==7.4',
    ],
    extras_require={
        'testing': ['pytest'],
        'coverage': ['pytest-cov', 'codecov'],
        'docs': ['numpydoc', 'sphinxext-opengraph', 'ablog==0.10.19',
                 'sphinx==6.2.1', 'docutils>=0.19', 'Jinja2>=3.0'],
        'styling': ['isort']
    },
    entry_points={
        'console_scripts': [
            'make_qsar=comptox_ai.scripts.make_qsar:main'
        ]
    }
)