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setup.py
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setup.py
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# Always prefer setuptools over distutils
from setuptools import setup, find_packages, Extension
from os import path
from Cython.Build import cythonize
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()
# Arguments marked as "Required" below must be included for upload to PyPI.
# Fields marked as "Optional" may be commented out.
with open(path.join(here, 'requirements.txt'), 'r') as f:
dependencies = [x.strip() for x in f]
setup(
name='mol_grid',
version='0.1.0',
description='Functionality for converting molecules to 3D grids',
long_description=long_description,
long_description_content_type='text/markdown',
url='https://bitbucket.org/ignatovmg/mol_grid',
author='Mikhail Ignatov',
author_email='ignatovmg@gmail.com',
classifiers=[ # Optional
# How mature is this project? Common values are
# 3 - Alpha
# 4 - Beta
# 5 - Production/Stable
'Development Status :: 3 - Alpha',
# Indicate who your project is intended for
#'Intended Audience :: Developers',
#'Topic :: Software Development :: Build Tools',
# Pick your license as you wish
#'License :: OSI Approved :: MIT License',
'Programming Language :: Python :: 3.7',
],
# This field adds keywords for your project which will appear on the
# project page. What does your project relate to?
#
# Note that this is a string of words separated by whitespace, not a list.
keywords='grid voxel pdb protein molecule',
# When your source code is in a subdirectory under the project root, e.g.
# `src/`, it is necessary to specify the `package_dir` argument.
#package_dir={'': 'src'}, # 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
ext_modules=cythonize('mol_grid/cgrids.pyx'), #[Extension('mol_grid.cgrids', sources=['mol_grid/cgrids.c'])],
#ext_modules=cythonize('mol_grid/cgrids.pyx'),
# Specify which Python versions you support. In contrast to the
# 'Programming Language' classifiers above, 'pip install' will check this
# and refuse to install the project if the version does not match. If you
# do not support Python 2, you can simplify this to '>=3.5' or similar, see
# https://packaging.python.org/guides/distributing-packages-using-setuptools/#python-requires
python_requires='>=3.6',
# This field lists other packages that your project depends on to run.
# Any package you put here will be installed by pip when your project is
# installed, so they must be valid existing projects.
#
# For an analysis of "install_requires" vs pip's requirements files see:
# https://packaging.python.org/en/latest/requirements.html
install_requires=dependencies, # Optional
# List additional groups of dependencies here (e.g. development
# dependencies). Users will be able to install these using the "extras"
# syntax, for example:
#
# $ pip install sampleproject[dev]
#
# Similar to `install_requires` above, these must be valid existing
# projects.
#extras_require={ # Optional
# 'dev': ['check-manifest'],
# 'test': ['coverage'],
#},
# If there are data files included in your packages that need to be
# installed, specify them here.
#
# If using Python 2.6 or earlier, then these have to be included in
# MANIFEST.in as well.
#package_data={ # Optional
# 'sample': ['package_data.dat'],
#},
# Although 'package_data' is the preferred approach, in some case you may
# need to place data files outside of your packages. See:
# http://docs.python.org/3.4/distutils/setupscript.html#installing-additional-files
#
# In this case, 'data_file' will be installed into '<sys.prefix>/my_data'
#data_files=[('my_data', ['data/data_file'])], # Optional
# 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': [
# 'sample=sample:main',
# ],
#},
# 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/pypa/sampleproject/issues',
# 'Funding': 'https://donate.pypi.org',
# 'Say Thanks!': 'http://saythanks.io/to/example',
# 'Source': 'https://github.com/pypa/sampleproject/',
#},
)