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from setuptools import setup, find_packages

from warnings import warn

sw_url = 'https://sw.docking.org/search.html'

warn(f'''DISCLAIMER: To use the SmallWorld API please make sure you can legally query a server with it,

for example {sw_url} by John Irwin.

This tool is not affiliated with the great folk at NextMove Software nor the Irwin lab,

but I am grateful for their smashing work and so should you so don't forget to cite them!''')

# ----------- python version check

import sys

if sys.version_info.major != 3 or sys.version_info.minor < 6:

print(sys.version_info)

raise SystemError('Module written for Python 3.6+.')

# -------------- fill docstring

import os

this_directory = os.path.abspath(os.path.dirname(__file__))

__doc__ = 'Smallworld API'

if os.path.exists(os.path.join(this_directory, 'README.md')):

# there is no manifest.in file, so it could be missing

with open(os.path.join(this_directory, 'README.md'), encoding='utf-8') as f:

__doc__ = f.read()

description = f'An (unofficial) Python3 module to query the SmallWorld chemical space search server ({sw_url})'

setup(

name='smallworld-api',

version='1.1.4',

python_requires='>=3.7',

packages=find_packages(),

install_requires=['pandas', 'requests', 'ipython'], # rdkit is optional.

url='https://github.com/matteoferla/Python_SmallWorld_API',

license='MIT',

author='Matteo Ferla',

author_email='matteo@well.ox.ac.uk',

classifiers=[ # https://pypi.org/classifiers/

'Development Status :: 5 - Production/Stable', # Development Status :: 4 - Beta

'Intended Audience :: Science/Research',

'Topic :: Scientific/Engineering :: Chemistry',

'License :: OSI Approved :: MIT License',

'Programming Language :: Python :: 3.7',

'Programming Language :: Python :: 3.8',

'Programming Language :: Python :: 3.9',

],

description=description,

long_description=__doc__,

long_description_content_type='text/markdown'

)