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setup.py
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setup.py
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import os
from setuptools import find_namespace_packages, setup
def read(fname):
return open(os.path.join(os.path.dirname(__file__), fname)).read()
def get_version(rel_path):
for line in read(rel_path).splitlines():
if line.startswith("__version__"):
delim = '"' if '"' in line else "'"
return line.split(delim)[1]
raise RuntimeError("Unable to find version string.")
setup(
name="pdbeccdutils",
version=get_version("pdbeccdutils/__init__.py"),
description="Toolkit to deal with wwPDB chemical components definitions for small molecules.",
long_description=read("README.md"),
long_description_content_type="text/markdown",
project_urls={
"Source code": "https://github.com/PDBeurope/ccdutils",
"Documentation": "https://pdbeurope.github.io/ccdutils/",
},
author="Protein Data Bank in Europe",
author_email="pdbehelp@ebi.ac.uk",
license="Apache License 2.0.",
keywords="PDB CCD wwPDB small molecule",
url="http://pypi.python.org/pypi/pdbeccdutils/",
packages=find_namespace_packages(),
zip_safe=False,
include_package_data=True,
python_requires=">=3.9",
install_requires=["Pillow", "scipy", "numpy", "requests", "gemmi", "networkx"],
extras_require={
"tests": ["pytest", "pytest-cov", "pre-commit"],
"docs": [
"sphinx<7.0.0",
"sphinx_rtd_theme",
"sphinx-autodoc-typehints",
"sphinx-markdown-tables",
"myst-parser",
],
},
entry_points={
"console_scripts": [
"process_components_cif=pdbeccdutils.scripts.process_components_cif_cli:main",
"setup_pubchem_library=pdbeccdutils.scripts.setup_pubchem_library_cli:main",
"read_boundmolecule=pdbeccdutils.scripts.boundmolecule_cli:run",
]
},
classifiers=[
"License :: OSI Approved :: Apache Software License",
"Programming Language :: Python",
"Programming Language :: Python :: 3.9",
"Programming Language :: Python :: Implementation :: CPython",
"Programming Language :: Python :: Implementation :: PyPy",
"Operating System :: Unix",
"Operating System :: MacOS",
"Operating System :: Microsoft :: Windows",
"Operating System :: POSIX",
"Intended Audience :: Science/Research",
"Intended Audience :: Developers",
"Topic :: Scientific/Engineering :: Bio-Informatics",
"Topic :: Scientific/Engineering :: Chemistry",
"Development Status :: 5 - Production/Stable",
],
)