84 lines
3.2 KiB
Python
84 lines
3.2 KiB
Python
from setuptools import setup
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setup(
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name='moltemplate',
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packages=['moltemplate',
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'moltemplate.nbody_alt_symmetry'],
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package_dir={'moltemplate': 'moltemplate'}, #.py files are in "moltemplate/"
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package_data={'moltemplate': ['force_fields/*.lt']}, #.lt files are in "moltemplate/force_fields/"
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description='A general cross-platform text-based molecule builder for LAMMPS',
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author='Andrew Jewett',
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author_email='jewett.aij@gmail.com',
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url='https://github.com/jewettaij/moltemplate',
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download_url='https://github.com/jewettaij/moltemplate/archive/v2.8.6.zip',
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version='2.8.6',
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keywords=['simulation', 'LAMMPS', 'molecule editor', 'molecule builder',
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'ESPResSo'],
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# BSD 3-Clause License:
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# - http://choosealicense.com/licenses/bsd-3-clause
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# - http://opensource.org/licenses/BSD-3-Clause
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license='BSD',
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classifiers=['Environment :: Console',
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'License :: OSI Approved :: BSD License',
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'Operating System :: MacOS :: MacOS X',
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'Operating System :: POSIX :: Linux',
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'Operating System :: Microsoft :: Windows',
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'Programming Language :: Python',
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'Programming Language :: Unix Shell',
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'Topic :: Scientific/Engineering :: Chemistry',
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'Topic :: Scientific/Engineering :: Physics',
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'Topic :: Multimedia :: Graphics :: 3D Modeling',
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'Intended Audience :: Science/Research'],
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scripts=['moltemplate/scripts/moltemplate.sh',
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'moltemplate/scripts/cleanup_moltemplate.sh',
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'moltemplate/scripts/emoltemplate.sh'],
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entry_points={
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'console_scripts': [
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'ttree.py=moltemplate.ttree:main',
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'ttree_render.py=moltemplate.ttree_render:main',
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'bonds_by_type.py=moltemplate.bonds_by_type:main',
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'chargepairs_by_type.py=moltemplate.chargepairs_by_type:main',
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'dump2data.py=moltemplate.dump2data:main',
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'extract_espresso_atom_types.py=moltemplate.extract_espresso_atom_types:main',
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'extract_lammps_data.py=moltemplate.extract_lammps_data:main',
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'ettree.py=moltemplate.ettree:main',
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'genpoly.py=moltemplate.ettree:main',
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'ltemplify.py=moltemplate.ltemplify:main',
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'lttree.py=moltemplate.lttree:main',
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'lttree_check.py=moltemplate.lttree_check:main',
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'lttree_postprocess.py=moltemplate.lttree_postprocess:main',
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'nbody_by_type.py=moltemplate.nbody_by_type:main',
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'nbody_fix_ttree_assignments.py=moltemplate.nbody_fix_ttree_assignments:main',
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'nbody_reorder_atoms.py=moltemplate.nbody_reorder_atoms:main',
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'pdbsort.py=moltemplate.pdbsort:main',
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'postprocess_input_script.py=moltemplate.postprocess_input_script:main',
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'postprocess_coeffs.py=moltemplate.postprocess_coeffs:main',
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'raw2data.py=moltemplate.raw2data:main',
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'remove_duplicate_atoms.py=moltemplate.remove_duplicate_atoms:main',
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'remove_duplicates_nbody.py=moltemplate.remove_duplicates_nbody:main',
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'renumber_DATA_first_column.py=moltemplate.renumber_DATA_first_column:main']},
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# install_requires=['numpy', 'scipy'],
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setup_requires=['pytest-runner'],
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tests_require=['pytest'],
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zip_safe=True,
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include_package_data=True
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)
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