preliminary setup.py files

setup.cfg

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+[metadata]
+description-file = README.md
+
+[aliases]
+test=pytest

setup.py

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+from setuptools import setup
+
+setup(
+  name='moltemplate',
+  packages=['moltemplate'],
+  version='2.0.4',
+  description='A general cross-platform text-based molecule builder for LAMMPS',
+  author='Andrew Jewett',
+  author_email='jewett.aij@gmail.com',
+  url='https://github.com/jewettaij/moltemplate',
+  download_url='https://github.com/jewettaij/moltemplate/tarball/v2.0.4',
+  keywords=['simulation', 'lammps', 'molecule'],
+  license='BSD 3-Clause License',
+  scripts=['moltemplate/scripts/moltemplate.sh'],
+  entry_points={
+    'console_scripts': [
+        'ttree.py=moltemplate.ttree:main',
+        'lttree.py=moltemplate.lttree:main',
+        'lttree_check.py=moltemplate.lttree_check:main',
+        'lttree_postprocess.py=moltemplate.lttree_postprocess:main',
+        'nbody_by_type.py=moltemplate.nbody_by_type:main',
+        'nbody_fix_ttree_assignments.py=moltemplate.nbody_fix_ttree_assignments:main',
+        'nbody_reorder_atoms.py=moltemplate.nbody_reorder_atoms:main',
+        'pdbsort.py=moltemplate.pdbsort:main',
+        'postprocess_input_script.py=moltemplate.postprocess_input_script:main',
+        'remove_duplicate_atoms.py=moltemplate.remove_duplicate_atoms:main',
+        'remove_duplicates_nbody.py=moltemplate.remove_duplicates_nbody:main',
+        'renumber_DATA_first_column.py=moltemplate.renumber_DATA_first_column:main',
+        'ttree_render.py=moltemplate.ttree_render:main',
+        'dump2data.py=moltemplate.dump2data:main',
+        'raw2data.py=moltemplate.raw2data:main']},
+  package_data={'moltemplate': ['force_fields/*']},
+  # install_requires=['numpy', 'scipy', 'biopython'],
+  setup_requires=['pytest-runner'],
+  tests_require=['pytest', 'pandas'],
+  zip_safe=True,
+  include_package_data=True
+)