old_contents: #!/usr/bin/env python
  # -*- encoding: utf-8 -*-
  
  from __future__ import absolute_import
  from __future__ import print_function
  
  import io
  import re
  from glob import glob
  from os.path import basename
  from os.path import dirname
  from os.path import join
  from os.path import splitext
  
  from setuptools import setup, find_packages
  
  import itertools as it
  
  import versioneer
  
  # setuptools only specifies abstract requirements. For the concrete
  # requirements i.e. index or repo URL see requirements.txt
  base_requirements = [
      'numpy',
      'h5py',
      'networkx==2.3',
      'pandas',
      'dill',
      'click',
      'scipy',
      'geomm',
      'matplotlib',
      'tabulate',
      'jinja2',
      'pint',
      'multiprocessing_logging',
      'eliot',
  ]
  
  # extras requirements list
  md_requirements = [
      'mdtraj',
      'openmm_systems==0.0.0',
  ]
  distributed_requirements = ['dask[bag]']
  
  prometheus_requirements = [
      'prometheus_client',
      'pympler',
  ]
  
  # # combination of all the extras requirements
  all_requirements = list(it.chain.from_iterable([
      base_requirements,
      md_requirements,
      distributed_requirements,
      prometheus_requirements,
  ]))
  
  setup(
      name='wepy',
      version=versioneer.get_version(),
      author="Samuel D. Lotz",
      author_email="samuel.lotz@salotz.info",
      description="Weighted Ensemble Framework",
      #long_description=open('README.org').read(),
      license="MIT",
      url="https://github.com/ADicksonLab/wepy",
      classifiers=[
          "Topic :: Utilities",
          "License :: OSI Approved :: MIT License",
          'Programming Language :: Python :: 3'
      ],
      # building/dev
      setup_requires=['pytest-runner'],
      tests_require=['pytest', 'tox'],
  
      cmdclass=versioneer.get_cmdclass(),
  
      # package
      packages=find_packages(where='src'),
  
      package_dir={'' : 'src'},
  
      # if this is true then the package_data won't be included in the
      # dist. Use MANIFEST.in for this
      include_package_data=True,
  
      # pymodules is for single file standalone modules not part of the
      # package
      py_modules=[splitext(basename(path))[0] for path in glob('src/*.py')],
  
      entry_points={
          'console_scripts' : [
              'wepy=wepy.__main__:cli',
          ],
          'pytest11' : [
              'pytest-wepy=pytest_wepy',
          ],
  
      },
  
      install_requires=base_requirements,
  
      extras_require={
          'md' : md_requirements,
          'distributed' : distributed_requirements,
          'prometheus' : prometheus_requirements,
          'all' : all_requirements,
      }
  )
  
new_contents: #!/usr/bin/env python
  # -*- encoding: utf-8 -*-
  
  from __future__ import absolute_import
  from __future__ import print_function
  
  import io
  import re
  from glob import glob
  from os.path import basename
  from os.path import dirname
  from os.path import join
  from os.path import splitext
  
  from setuptools import setup, find_packages
  
  import itertools as it
  
  import versioneer
  
  # setuptools only specifies abstract requirements. For the concrete
  # requirements i.e. index or repo URL see requirements.txt
  base_requirements = [
      'numpy',
      'h5py',
      'networkx==2.3',
      'pandas',
      'dill',
      'click',
      'scipy',
      'geomm',
      'matplotlib',
      'tabulate',
      'jinja2',
      'pint',
      'multiprocessing_logging',
      'eliot',
  ]
  
  # extras requirements list
  md_requirements = [
      'mdtraj',
      'openmm_systems==0.0.0',
  ]
  distributed_requirements = ['dask[bag]']
  
  prometheus_requirements = [
      'prometheus_client',
      'pympler',
  ]
  
  # # combination of all the extras requirements
  all_requirements = list(it.chain.from_iterable([
      base_requirements,
      md_requirements,
      distributed_requirements,
      prometheus_requirements,
  ]))
  
  setup(
      name='wepy',
      version=versioneer.get_version(),
      author="Samuel D. Lotz",
      author_email="samuel.lotz@salotz.info",
      description="Weighted Ensemble Framework",
      #long_description=open('README.org').read(),
      license="MIT",
      url="https://github.com/ADicksonLab/wepy",
      classifiers=[
          "Topic :: Utilities",
          "License :: OSI Approved :: MIT License",
          'Programming Language :: Python :: 3'
      ],
      # building/dev
      setup_requires=['pytest-runner'],
      tests_require=['pytest', 'nox'],
  
      cmdclass=versioneer.get_cmdclass(),
  
      # package
      packages=find_packages(where='src'),
  
      package_dir={'' : 'src'},
  
      # if this is true then the package_data won't be included in the
      # dist. Use MANIFEST.in for this
      include_package_data=True,
  
      # pymodules is for single file standalone modules not part of the
      # package
      py_modules=[splitext(basename(path))[0] for path in glob('src/*.py')],
  
      entry_points={
          'console_scripts' : [
              'wepy=wepy.__main__:cli',
          ],
          'pytest11' : [
              'pytest-wepy=pytest_wepy',
          ],
  
      },
  
      install_requires=base_requirements,
  
      extras_require={
          'md' : md_requirements,
          'distributed' : distributed_requirements,
          'prometheus' : prometheus_requirements,
          'all' : all_requirements,
      }
  )
  
subject: change test_requires from tox to nox