setup.py

"""Setup script for the ISAMBARD."""

from setuptools import setup, find_packages
from setuptools.extension import Extension
from Cython.Build import cythonize


def readme():
    """Loads the readme file for AMPAL."""
    with open("README.md", "r") as inf:
        return inf.read()


setup(
    name="ISAMBARD",
    version="2.3.1",
    description="A package for biomolecular analysis, modelling and design",
    long_description=readme(),
    long_description_content_type="text/markdown; charset=UTF-8; variant=GFM",
    url="https://github.com/isambard-uob/isambard",
    author="Woolfson Group, University of Bristol",
    author_email="chris.wood@ed.ac.uk",
    classifiers=[
        "Intended Audience :: Science/Research",
        "License :: OSI Approved :: MIT License",
        "Natural Language :: English",
        "Topic :: Scientific/Engineering :: Bio-Informatics",
        "Programming Language :: Python :: 3.5",
        "Programming Language :: Python :: 3.6",
    ],
    packages=find_packages("src"),
    package_dir={"": "src"},
    include_package_data=True,
    # This code automatically builds the Cython extensions.
    ext_modules=cythonize(
        [
            Extension(
                "isambard.specifications.ta_polypeptide",
                [("src/isambard/specifications/ta_polypeptide.pyx")],
            ),
        ]
    ),
    install_requires=[
        "ampal",
        "budeff",
        "Cython",
        "deap",
        "matplotlib",
        "numpy",
    ],
    zip_safe=False,
)