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34 lines (32 loc) · 1.28 KB
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import setuptools
from os import path
import pharmd
this_directory = path.abspath(path.dirname(__file__))
with open(path.join(this_directory, 'README.md'), encoding='utf-8') as f:
long_description = f.read()
setuptools.setup(
name="pharmd",
version=pharmd.__version__,
author="Pavel Polishchuk",
author_email="pavel_polishchuk@ukr.net",
description="PharMD: MD pharmacophores and virtual screening",
long_description=long_description,
long_description_content_type="text/markdown",
url="https://github.com/ci-lab-cz/pharmd.git",
packages=['pharmd'],
package_data={'pharmd': ['queries.sdf']},
classifiers=[
"Programming Language :: Python :: 3",
"License :: OSI Approved :: BSD License",
"Operating System :: OS Independent",
"Topic :: Scientific/Engineering :: Bio-Informatics",
"Topic :: Scientific/Engineering :: Chemistry"
],
python_requires='>=3.6',
install_requires=['0.3<=pmapper<=0.4.0', 'psearch>=0.0.2', 'mdtraj>=1.9.3'],
entry_points={'console_scripts':
['get_distinct = pharmd.get_distinct:entry_point',
'md2pharm = pharmd.md2pharm:entry_point',
'get_scores = pharmd.get_scores:entry_point']},
include_package_data=True
)