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setup.py
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setup.py
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import setuptools
with open("README.md", "r") as fh:
long_description = fh.read()
setuptools.setup(
name="biobb_amber",
version="5.0.3",
author="Biobb developers",
author_email="adam.hospital@irbbarcelona.org",
description="Biobb_amber is a BioBB category for AMBER MD package.",
long_description="Biobb_amber allows setup and simulation of atomistic MD simulations using AMBER MD package and its associated AMBER tools.",
long_description_content_type="text/markdown",
keywords="Bioinformatics Workflows BioExcel Compatibility MD Amber",
url="https://github.com/bioexcel/biobb_amber",
project_urls={
"Documentation": "http://biobb-amber.readthedocs.io/en/latest/",
"Bioexcel": "https://bioexcel.eu/",
},
packages=setuptools.find_packages(exclude=["docs", "test"]),
package_data={"biobb_amber": ["py.typed"]},
install_requires=["biobb_common==5.0.0"],
python_requires=">=3.9, <3.11",
entry_points={
"console_scripts": [
"amber_to_pdb = biobb_amber.ambpdb.amber_to_pdb:main",
"cestats_run = biobb_amber.cphstats.cestats_run:main",
"cphstats_run = biobb_amber.cphstats.cphstats_run:main",
"cpptraj_randomize_ions = biobb_amber.cpptraj.cpptraj_randomize_ions:main",
"leap_add_ions = biobb_amber.leap.leap_add_ions:main",
"leap_build_linear_structure = biobb_amber.leap.leap_build_linear_structure:main",
"leap_gen_top = biobb_amber.leap.leap_gen_top:main",
"leap_solvate = biobb_amber.leap.leap_solvate:main",
"nab_build_dna_structure = biobb_amber.nab.nab_build_dna_structure:main",
"parmed_cpinutil = biobb_amber.parmed.parmed_cpinutil:main",
"parmed_hmassrepartition = biobb_amber.parmed.parmed_hmassrepartition:main",
"pdb4amber_run = biobb_amber.pdb4amber.pdb4amber_run:main",
"pmemd_mdrun = biobb_amber.pmemd.pmemd_mdrun:main",
"process_mdout = biobb_amber.process.process_mdout:main",
"process_minout = biobb_amber.process.process_minout:main",
"sander_mdrun = biobb_amber.sander.sander_mdrun:main",
]
},
classifiers=[
"Development Status :: 5 - Production/Stable",
"Programming Language :: Python :: 3.9",
"License :: OSI Approved :: Apache Software License",
"Operating System :: MacOS :: MacOS X",
"Operating System :: POSIX",
"Operating System :: Unix",
],
)