old_contents: #!/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', 'smact.structure_prediction'],
        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'
        ]
      )
  
new_contents: #!/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="2.2.1",
          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", "smact.structure_prediction"],
          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",
          ],
      )
  
subject: Update version number + formatting