new_contents: from setuptools import setup
  
  
  setup(
      name='berny',
      version='0.1',
      description='Molecular/crystal structure optimizer',
      author='Jan Hermann',
      author_email='dev@hermann.in',
      url='https://github.com/azag0/pyberny',
      packages=['berny'],
      classifiers=[
          'Development Status :: 3 - Alpha',
          'Environment :: Console',
          'Intended Audience :: Science/Research',
          'License :: OSI Approved :: Mozilla Public License 2.0 (MPL 2.0)',
          'Natural Language :: English',
          'Operating System :: Unix',
          'Programming Language :: Python :: 2.7',
          'Programming Language :: Python :: 3',
          'Topic :: Scientific/Engineering :: Chemistry',
          'Topic :: Scientific/Engineering :: Physics',
      ],
      license='Mozilla Public License 2.0',
      install_requires=['numpy'],
  )
  
subject: add setup.py