# -*- coding: utf-8 -*-
__copyright__ = """ This code is licensed under the 3-clause BSD license.
Copyright ETH Zurich, Department of Chemistry and Applied Biosciences, Reiher Group.
See LICENSE.txt for details.
"""

from os import path
from setuptools import setup, find_packages

here = path.abspath(path.dirname(__file__))
min_version = (3, 9)
with open(path.join(here, "requirements.txt")) as requirements_file:
    # Parse requirements.txt, ignoring any commented-out lines.
    requirements = [line for line in requirements_file.read().splitlines() if not line.startswith("#")]


setup(
    name="work_distribution_tools",
    version="0.1.0",
    description="Tools to analyze and plot NEQ simulation results.",
    author="ETH Zurich, Department of Chemistry and Applied Biosciences, Reiher Group",
    author_email="scine@phys.chem.ethz.ch",
    url="https://www.scine.ethz.ch",
    python_requires=">={}".format(".".join(str(n) for n in min_version)),
    packages=find_packages(include=["work_distribution_tools", "work_distribution_tools.*"]),
    include_package_data=True,
    install_requires=requirements,
    license="BSD (3-clause)",
    classifiers=[
        "Programming Language :: Python",
        "Programming Language :: C++",
        "Development Status :: 5 - Production/Stable",
        "Intended Audience :: Science/Research",
        "License :: OSI Approved :: BSD License",
        "Natural Language :: English",
        "Topic :: Scientific/Engineering :: Chemistry",
    ],
    zip_safe=False,
    test_suite="pytest",
    tests_require=["pytest"],
    entry_points={
        'console_scripts': [
            'plot_work_shrunk = work_distribution_tools.scripts.plot_work_distributions:shrunk',
            'plot_work_shrunk_single_system = work_distribution_tools.scripts.plot_work_distributions:shrunk_single_system',
            'plot_dG_vs_iter_shrunk = work_distribution_tools.scripts.plot_dG_vs_iteration:plot_dG_vs_iteration_shrunk',
            'plot_model_complex_endstates = work_distribution_tools.scripts.plot_dG_vs_iteration:individual_endstate_oscillation',
            'plot_dG_vs_iteration_shrunk_single_system = work_distribution_tools.scripts.plot_dG_vs_iteration:plot_dG_vs_iteration_shrunk_single_system',
            'plot_dG_qmqm = work_distribution_tools.scripts.plot_qmqm_dg_distribution:plot_qmqm_dg_distribution'
        ],
    }
)