1#!/usr/bin/env python
2from setuptools import setup, find_packages
3from oddt import __version__ as VERSION
4
5setup(name='oddt',
6      version=VERSION,
7      description='Open Drug Discovery Toolkit',
8      author='Maciej Wojcikowski',
9      author_email='mwojcikowski@ibb.waw.pl',
10      url='https://github.com/oddt/oddt',
11      license='BSD',
12      packages=find_packages(),
13      package_data={'oddt.scoring.functions': ['NNScore/*.csv',
14                                               'RFScore/*.csv',
15                                               'PLECscore/*.json',
16                                               ],
17                    'oddt.toolkits.extras': ['pdb_residue_templates.smi'],
18                    },
19      setup_requires=['numpy'],
20      install_requires=open('requirements.txt', 'r').readlines(),
21      download_url='https://github.com/oddt/oddt/tarball/%s' % VERSION,
22      keywords=['cheminformatics', 'qsar', 'virtual screening', 'docking', 'pipeline'],
23      scripts=['bin/oddt_cli'],
24      )
25