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"""A setuptools based setup module.
See:
https://packaging.python.org/en/latest/distributing.html
https://github.com/pypa/sampleproject
"""
# Always prefer setuptools over distutils
from setuptools import setup, find_packages
from os import listdir, path
# io.open is needed for projects that support Python 2.7
# It ensures open() defaults to text mode with universal newlines,
# and accepts an argument to specify the text encoding
# Python 3 only projects can skip this import
from io import open
here = path.abspath(path.dirname(__file__))
# Get the long description from the README file
with open(path.join(here, "README.md"), encoding="utf-8") as f:
long_description = f.read()
# Collect names of bin/*py scripts
# e.g. 'pdb_intersect=bin.pdb_intersect:main',
binfiles = listdir(path.join(here, "pdbtools"))
bin_py = [
f[:-3] + "=pdbtools." + f[:-3] + ":main" for f in binfiles if f.endswith(".py")
]
setup(
name="pdb-tools", # Required
version="2.5.2", # Required
description="A swiss army knife for PDB files.", # Optional
long_description=long_description, # Optional
long_description_content_type="text/markdown", # Optional (see note above)
url="http://bonvinlab.org/pdb-tools", # Optional
author="Joao Rodrigues", # Optional
author_email="j.p.g.l.m.rodrigues@gmail.com", # Optional
license="Apache Software License, version 2",
classifiers=[
"Development Status :: 5 - Production/Stable",
"Intended Audience :: Science/Research",
"Topic :: Scientific/Engineering",
"Topic :: Scientific/Engineering :: Chemistry",
"Topic :: Scientific/Engineering :: Bio-Informatics",
"Programming Language :: Python :: 3.9",
"Programming Language :: Python :: 3.10",
"Programming Language :: Python :: 3.11",
"Programming Language :: Python :: 3.12",
"Programming Language :: Python :: 3.13",
],
keywords="bioinformatics protein structural-biology pdb", # Optional
# You can just specify package directories manually here if your project is
# simple. Or you can use find_packages().
#
# Alternatively, if you just want to distribute a single Python file, use
# the `py_modules` argument instead as follows, which will expect a file
# called `my_module.py` to exist:
#
# py_modules=["my_module"],
#
packages=find_packages(), # Required
# To provide executable scripts, use entry points in preference to the
# "scripts" keyword. Entry points provide cross-platform support and allow
# `pip` to create the appropriate form of executable for the target
# platform.
#
# For example, the following would provide a command called `sample` which
# executes the function `main` from this package when invoked:
entry_points={ # Optional
"console_scripts": bin_py,
},
# scripts=[path.join('bin', f) for f in listdir(path.join(here, 'bin'))],
# List additional URLs that are relevant to your project as a dict.
#
# This field corresponds to the "Project-URL" metadata fields:
# https://packaging.python.org/specifications/core-metadata/#project-url-multiple-use
#
# Examples listed include a pattern for specifying where the package tracks
# issues, where the source is hosted, where to say thanks to the package
# maintainers, and where to support the project financially. The key is
# what's used to render the link text on PyPI.
project_urls={ # Optional
"Bug Reports": "https://github.com/haddocking/pdb-tools/issues",
"Source": "https://github.com/haddocking/pdb-tools",
},
# Test Suite
test_suite="tests.test_all",
)
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