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setup.py
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setup.py
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from setuptools import setup
setup(
name='moltemplate',
packages=['moltemplate', 'moltemplate/nbody_alt_symmetry'],
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/archive/v2.3.7.zip',
version='2.3.7',
keywords=['simulation', 'LAMMPS', 'molecule editor', 'molecule builder',
'ESPResSo'],
# BSD 3-Clause License:
# - http://choosealicense.com/licenses/bsd-3-clause
# - http://opensource.org/licenses/BSD-3-Clause
license='BSD',
classifiers=['Environment :: Console',
'License :: OSI Approved :: BSD License',
'Operating System :: MacOS :: MacOS X',
'Operating System :: POSIX :: Linux',
'Operating System :: Microsoft :: Windows'],
scripts=['moltemplate/scripts/moltemplate.sh',
'moltemplate/scripts/cleanup_moltemplate.sh',
'moltemplate/scripts/emoltemplate.sh'],
entry_points={
'console_scripts': [
'ttree.py=moltemplate.ttree:main',
'ttree_render.py=moltemplate.ttree_render:main',
'bonds_by_type.py=moltemplate.bonds_by_type:main',
'chargepairs_by_type.py=moltemplate.chargepairs_by_type:main',
'dump2data.py=moltemplate.dump2data:main',
'extract_espresso_atom_types.py=moltemplate.extract_espresso_atom_types:main',
'extract_lammps_data.py=moltemplate.extract_lammps_data:main',
'ettree.py=moltemplate.ettree:main',
'genpoly.py=moltemplate.ettree:main',
'ltemplify.py=moltemplate.ltemplify: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',
'raw2data.py=moltemplate.raw2data: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']},
package_data={'moltemplate': ['force_fields/*.lt']},
# install_requires=['numpy', 'scipy', 'biopython'],
setup_requires=['pytest-runner'],
tests_require=['pytest'],
zip_safe=True,
include_package_data=True
)

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