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moltemplate bugfix update

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This commit is contained in:
Axel Kohlmeyer
2017-08-24 07:12:45 -04:00
parent dea92fbf52
commit de0fdbed6c
2 changed files with 22 additions and 11 deletions
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16
tools/moltemplate/setup.py
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@ -14,9 +14,13 @@ setup(
url='https://github.com/jewettaij/moltemplate',
download_url='https://github.com/jewettaij/moltemplate/tarball/v2.2.1',
download_url='https://github.com/jewettaij/moltemplate/archive/v2.3.7.zip',
keywords=['simulation', 'LAMMPS', 'molecule', 'builder', 'ESPResSo'],
version='2.3.7',
keywords=['simulation', 'LAMMPS', 'molecule editor', 'molecule builder',
'ESPResSo'],
# BSD 3-Clause License:
# - http://choosealicense.com/licenses/bsd-3-clause
@ -28,8 +32,7 @@ setup(
'License :: OSI Approved :: BSD License',
'Operating System :: MacOS :: MacOS X',
'Operating System :: POSIX :: Linux',
'Operating System :: Microsoft :: Windows'
],
'Operating System :: Microsoft :: Windows'],
scripts=['moltemplate/scripts/moltemplate.sh',
'moltemplate/scripts/cleanup_moltemplate.sh',
@ -58,13 +61,12 @@ setup(
'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',
'tinkerparm2lt.py=moltemplate.tinkerparm2lt.py']},
'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', 'pandas'],
tests_require=['pytest'],
zip_safe=True,
include_package_data=True
)