old_contents: 
  from Cython.Distutils import build_ext
  from setuptools import Extension, setup
  import numpy as np
  import os
  import shutil
  
  if shutil.which('icc') is not None:
      os.environ['CC'] = 'icc'
      os.environ['LDSHARED'] = 'icc -shared'
  
  setup(
      name='qmworks-namd',
      version='0.2.0',
      description='Automation of computations in quantum chemistry',
      license='MIT',
      url='https://github.com/SCM-NV/qmworks-namd',
      author=['Felipe Zapata', 'Ivan Infante'],
      author_email='tifonzafel_gmail.com',
      keywords='chemistry Photochemistry Simulation',
      packages=[
          "nac", "nac.analysis", "nac.basisSet", "nac.integrals", "nac.schedule",
          "nac.workflows"],
      classifiers=[
          'License :: OSI Approved :: MIT License',
          'Intended Audience :: Science/Research',
          'programming language :: python :: 3.5',
          'development status :: 4 - Beta',
          'intended audience :: science/research',
          'topic :: scientific/engineering :: chemistry'
      ],
      install_requires=[
          'cython', 'numpy', 'h5py', 'noodles', 'pandas', 'qmworks', 'pymonad',
          'scipy'],
      cmdclass={'build_ext': build_ext},
      ext_modules=[Extension(
          'multipoleObaraSaika', ['nac/integrals/multipoleObaraSaika.pyx'])],
      include_dirs=[np.get_include()],
      extras_require={'test': ['nose', 'coverage']},
      scripts=[
          'scripts/hamiltonians/plot_mos_energies.py',
          'scripts/hamiltonians/plot_spectra.py',
          'scripts/pyxaid/plot_average_energy.py',
          'scripts/pyxaid/plot_spectra_pyxaid.py',
          'scripts/pyxaid/plot_states_pops.py',
          'scripts/qmworks/mergeHDF5.py',
          'scripts/qmworks/removeHDF5folders.py',
          'scripts/qmworks/remove_mos_hdf5.py',
          'scripts/distribution/distribute_jobs.py',
          'scripts/distribution/merge_job.py',
          'scripts/qmworks/plot_dos.py']
  )
  
new_contents: 
  from Cython.Distutils import build_ext
  from setuptools import Extension, setup
  import numpy as np
  import os
  import shutil
  
  if shutil.which('icc') is not None:
      os.environ['CC'] = 'icc'
      os.environ['LDSHARED'] = 'icc -shared'
  
  setup(
      name='qmworks-namd',
      version='0.2.0',
      description='Automation of computations in quantum chemistry',
      license='MIT',
      url='https://github.com/SCM-NV/qmworks-namd',
      author=['Felipe Zapata', 'Ivan Infante'],
      author_email='tifonzafel_gmail.com',
      keywords='chemistry Photochemistry Simulation',
      packages=[
          "nac", "nac.analysis", "nac.basisSet", "nac.integrals", "nac.schedule",
          "nac.workflows"],
      classifiers=[
          'License :: OSI Approved :: MIT License',
          'Intended Audience :: Science/Research',
          'programming language :: python :: 3.5',
          'development status :: 4 - Beta',
          'intended audience :: science/research',
          'topic :: scientific/engineering :: chemistry'
      ],
      install_requires=[
          'cython', 'numpy', 'h5py', 'noodles', 'pandas', 'qmworks', 'pymonad',
          'scipy'],
      cmdclass={'build_ext': build_ext},
      ext_modules=[Extension(
          'multipoleObaraSaika', ['nac/integrals/multipoleObaraSaika.pyx'])],
      include_dirs=[np.get_include()],
      extras_require={'test': ['nose', 'coverage']},
      scripts=[
          'scripts/hamiltonians/plot_mos_energies.py',
          'scripts/hamiltonians/plot_spectra.py',
          'scripts/pyxaid/plot_average_energy.py',
          'scripts/pyxaid/plot_spectra_pyxaid.py',
          'scripts/pyxaid/plot_states_pops.py',
          'script/pyxaid/plot_cooling.py', 
          'scripts/qmworks/mergeHDF5.py',
          'scripts/qmworks/removeHDF5folders.py',
          'scripts/qmworks/remove_mos_hdf5.py',
          'scripts/distribution/distribute_jobs.py',
          'scripts/distribution/merge_job.py',
          'scripts/qmworks/plot_dos.py']
  )
  
subject: Update setup file with new bin