"""Install package."""

import codecs

import os

from setuptools import find_packages, setup

def read(rel_path):

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

    with codecs.open(os.path.join(here, rel_path), 'r') as fp:

        return fp.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]

    else:

        raise RuntimeError('Unable to find version string.')

setup(

    name='paccmann_predictor',

    version=get_version('paccmann_predictor/__init__.py'),

    description=('PyTorch implementation of PaccMann'),

    long_description=open('README.md').read(),

    long_description_content_type='text/markdown',

    url='https://github.com/PaccMann/paccmann_predictor',

    author='Ali Oskooei, Jannis Born, Matteo Manica, Joris Cadow',

    author_email=(

        'ali.oskooei@gmail.com, jab@zurich.ibm.com, '

        'drugilsberg@gmail.com, joriscadow@gmail.com'

    ),

    install_requires=[

        'numpy', 

        'scipy',

        'torch>=1.0.0',

        'pandas',

        'tqdm',

        'rdkit',

        'pytoda>=1.1.5',

    ],

    packages=find_packages('.'),

    zip_safe=False,

)