setup.py

#!/usr/bin/env python

import os

from setuptools import setup, find_packages

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

# Requirements
reqs_file = os.path.join(module_dir, "requirements.txt")
with open(reqs_file, "r") as f:
    reqs_raw = f.read()
reqs_list = [r.replace("==", ">=") for r in reqs_raw.split("\n")]

# Optional requirements
extras_file = os.path.join(module_dir, "requirements-optional.txt")
with open(extras_file, "r") as f:
    extras_raw = f.read()
extras_raw = [r for r in extras_raw.split("##") if r.strip() and "#" not in r]
extras_dict = {}
for req in extras_raw:
    items = [i.replace("==", ">=") for i in req.split("\n") if i.strip()]
    dependency_name = items[0].strip()
    dependency_reqs = [i.strip() for i in items[1:] if i.strip()]
    extras_dict[dependency_name] = dependency_reqs
extras_list = list(extras_dict)
extras_list = [r for d in extras_dict.values() for r in d]



if __name__ == "__main__":
    setup(
        name='matminer',
        version='0.6.3',
        description='matminer is a library that contains tools for data '
                    'mining in Materials Science',
        long_description=open(os.path.join(module_dir, 'README.md')).read(),
        url='https://github.com/hackingmaterials/matminer',
        author='Anubhav Jain',
        author_email='anubhavster@gmail.com',
        license='modified BSD',
        packages=find_packages(),
        package_data={
            'matminer.datasets': ['*.json'],
            'matminer.featurizers': ["*.yaml"],
            'matminer.utils.data_files': ['*.cif', '*.csv', '*.tsv', '*.json',
                                          'magpie_elementdata/*.table',
                                          'jarvis/*.json', '*.txt']},
        zip_safe=False,
        install_requires=reqs_list,
        extras_require=extras_dict,
        classifiers=['Programming Language :: Python :: 2.7',
                     'Programming Language :: Python :: 3.6',
                     'Development Status :: 4 - Beta',
                     'Intended Audience :: Science/Research',
                     'Intended Audience :: System Administrators',
                     'Intended Audience :: Information Technology',
                     'Operating System :: OS Independent',
                     'Topic :: Other/Nonlisted Topic',
                     'Topic :: Scientific/Engineering'],
        test_suite='matminer',
        tests_require=extras_list,
        scripts=[]
        # scripts=[os.path.join('scripts', f) for f in os.listdir(os.path.join(module_dir, 'scripts'))]
)