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setup.py
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#!/usr/bin/env python
from distutils.core import setup
setup(
name = 'HTSOHM',
version = '0.6.0',
description = 'High-throughput Screening of Pseudo Materials',
author = 'Paul Boone / A Reino Kaija',
author_email = '[email protected]',
url = 'https://github.com/paulboone/htsohm',
packages = ['htsohm'],
install_requires=[
'numpy',
'scipy',
'sqlalchemy',
'click',
'pandas',
'pyyaml',
'matplotlib',
],
entry_points={
'console_scripts': [
'dps = htsohm.bin.dps:cmdline',
'psm-prop-histogram = htsohm.bin.prop_histogram:bin_graph',
'psm-graph-bins = htsohm.bin.bin_graph:bin_graph',
'psm-graph-a-ml = htsohm.bin.graph_sig_eps_a_ml:bin_graph',
'psm-graph-max-prop-by-num-materials = htsohm.bin.graph_max_prop_by_num_materials:bin_graph',
'psm-graph-prop-by-num-materials = htsohm.bin.graph_prop_by_num_materials:bin_graph',
'psm-output-config-files = htsohm.bin.config_files:output_config_files',
'psm-csv = htsohm.bin.output_csv:output_csv',
'psm-atoms-csv = htsohm.bin.output_csv:output_atom_sites_csv',
'psm-material-csv = htsohm.bin.output_csv:output_material_csv',
'psm-csv-add-bin = htsohm.bin.output_csv:csv_add_bin',
'psm-dof-analysis = htsohm.bin.dof_analysis:dof_analysis',
'psm-setup-one-atom-sweep = htsohm.bin.one_atom_sweep_setup:sweep_setup',
'psm-setup-cube-pore-sweep = htsohm.bin.cube_pore_sweep_setup:sweep_setup',
'psm-run-one-atom-sweep = htsohm.bin.one_atom_sweep_run:run_materials',
]
},
)