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setup.py
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from setuptools import setup, find_packages
version="2.1.0"
setup(
name="robert",
packages=find_packages(exclude=["tests"]),
package_data={"robert": ["model_params/*","report/*","icons/*"]},
version=version,
license="MIT",
description="Refiner and Optimizer of a Bunch of Existing Regression Tools",
long_description="Documentation in Read The Docs: https://robert.readthedocs.io",
long_description_content_type="text/markdown",
author="Juan V. Alegre Requena, David Dalmau",
author_email="jv.alegre@csic.es",
keywords=[
"workflows",
"machine learning",
"cheminformatics",
"data curation",
"prediction",
"automated",
],
url="https://github.com/jvalegre/robert",
download_url=f"https://github.com/jvalegre/robert/archive/refs/tags/{version}.tar.gz",
classifiers=[
"Development Status :: 5 - Production/Stable", # Chose either "3 - Alpha", "4 - Beta" or "5 - Production/Stable" as the current state of your package
"Intended Audience :: Developers", # Define that your audience are developers
"Topic :: Software Development :: Build Tools",
"License :: OSI Approved :: MIT License",
"Programming Language :: Python :: 3.11", # Specify which python versions you want to support
"Programming Language :: Python :: 3.12",
"Programming Language :: Python :: 3.13",
"Programming Language :: Python :: 3.14",
],
install_requires=[
"PyYAML==6.0.3",
"matplotlib==3.10.0",
"pandas==2.3.3",
"numpy==2.3.4",
"progress==1.6.1",
"seaborn==0.13.2",
"scipy==1.15.0",
"scikit-learn==1.7.2",
"bayesian-optimization==3.1.0",
"numba==0.62.1",
"shap==0.49.1",
"weasyprint==63.1",
"PySide6==6.9.2",
"PyMuPDF",
"ansi2html",
"rdkit==2025.9.1",
"psutil==7.0.0",
"requests==2.32.5",
],
python_requires=">=3.11",
include_package_data=True,
)