#!/usr/bin/env python

__author__ = "Daniel W. Davies"
__copyright__ = "Copyright Daniel W. Davies, Adam J. Jackson, Keith T. Butler (2019)"
__version__ = "2.2"
__maintainer__ = "Daniel W. Davies"
__email__ = "d.davies16@imperial.ac.uk"
__date__ = "Jun 10 2019"

from setuptools import setup, Extension
import os
import unittest

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

if __name__ == "__main__":
    setup(
      name='SMACT',
      version='2.2',
      description='Semiconducting Materials by Analogy and Chemical Theory',
      long_description=open(os.path.join(module_dir, 'README.md')).read(),
      long_description_content_type='text/markdown',
      url='https://github.com/WMD-group/SMACT',
      author='Daniel W. Davies',
      author_email='d.davies16@imperial.ac.uk',
      license='MIT',
      packages=['smact', 'smact.tests'],
      package_data={
        'smact': ['data/*.txt', 'data/*.csv', 'data/*.data', 'data/*.xlsx', 'data/*.json']
      },
      zip_safe=False,
      test_suite='smact.tests.test',
      install_requires=['scipy', 'numpy', 'spglib', 'pymatgen', 'ase', 'pandas', 'pathos'],
      classifiers=[
        'Programming Language :: Python',
        'Development Status :: 5 - Production/Stable',
        'Intended Audience :: Science/Research',
        'Operating System :: OS Independent',
        'Topic :: Scientific/Engineering'
      ]
    )

@@ -852,16 +852,46 @@
 t.tests'
+, 'smact.structure_prediction'
 %5D,%0A     

Include structure predictor in bleeding edge pip from repo