setup.py

"""
Ensembler
Code to sample ensembles of simple (toy) models with various algorithms. 
"""
import sys
import versioneer

short_description = __doc__.split("\n")

needs_pytest = {'pytest', 'test', 'ptr'}.intersection(sys.argv)
pytest_runner = ['pytest-runner'] if needs_pytest else []

try:
    with open("README.md", "r") as handle:
        long_description = handle.read()
except:
    long_description = "\n".join(short_description[2:])

import io
import os
import sys

from setuptools import find_packages, setup, Command

# Package meta-data.
NAME = 'ensembler-rinikerlab'
DESCRIPTION = 'Ensembler is a tool for fast and efficient development of simulation methods or for teaching purposes.'
URL = 'https://github.com/rinikerlab/Ensembler'
DOWNLOAD_URL = "https://github.com/rinikerlab/Ensembler/archive/1.0.tar.gz"
EMAIL = 'bschroed@ethz.ch'
AUTHOR = 'Benjamin Ries; David Friedrich Hahn; Stephanie Linker'
REQUIRES_PYTHON = '>=3.6.0'
VERSION = None #"1.0.0"
KEYWORDS = " ".join(["teaching", "method_development", "statistical_mechanics", "statistical_thermodynamics", "physics", "chemistry",
            "free_energy_calculations", "free energy", "enhanced sampling", "RE-EDS", "EDS", "Conveyor_Belt_TI", "numerical_integration", "science"])

# What packages are required for this module to be executed? - for minimal package version, please check the requirement files
REQUIRED = ['typing', #Code: used for type declarations
            'pytest', #Code: used for testing
            'pandas', #Code: core functionality
            'numpy', #Code: core functionality
            'sympy', #Code: core functionality
            'scipy', #Code: core functionality
            'matplotlib', #Visualization
            'jupyter', # Tutorial/Examples: basics
            'ipywidgets',# Tutorial/Examples: Interactive widgets
            'tqdm',# Tutorial/Examples: nice progressbar
            'ffmpeg' #Visualizations: for animations in general
            ]

# What packages are optional?
EXTRAS = {"docs":[
           'sphinx', #Documentation: autodocu tool
           'sphinx_rtd_theme', #Documentation: style
           'nbsphinx', #Documentation: for inclusion of jupyter notebooks
           'm2r', #Documentation: converts markdown to rst
           ]
         }

# The rest you shouldn't have to touch too much :)
# ------------------------------------------------
# Except, perhaps the License and Trove Classifiers!
# If you do change the License, remember to change the Trove Classifier for that!

here = os.path.abspath(os.path.dirname(__file__))

# Import the README.md and use it as the long-description.
# Note: this will only work if 'README.md.md' is present in your MANIFEST.in file!
try:
    #with io.open(os.path.join(here, 'README.md'), encoding='utf-8') as f:
    with io.open(os.path.join(here, 'docs/sphinx_project/introduction.rst'), encoding='utf-8') as f:

        long_description = '\n' + f.read()
except FileNotFoundError:
    long_description = DESCRIPTION

# Load the package's __version__.py module as a dictionary.
about = {}
if not VERSION:
    with open(os.path.join(here, "ensembler", '__version__.py')) as f:
        exec(f.read(), about)
else:
    about['__version__'] = VERSION
VERSION = about['__version__']

class UploadCommand(Command):
    """Support setup.py upload."""

    description = 'Build and publish the package.'
    user_options = []

    @staticmethod
    def status(s):
        """Prints things in bold."""
        print('\033[1m{0}\033[0m'.format(s))

    def initialize_options(self):
        pass

    def finalize_options(self):
        pass

    def run(self):
        try:
            self.status('Removing previous builds…')
            import shutil
            shutil.rmtree(os.path.join(here, 'dist'))
        except OSError:
            pass

        self.status('Building Source and Wheel (universal) distribution…')
        os.system('{0} setup.py sdist bdist_wheel --universal'.format(sys.executable))

        self.status('Uploading the package to PyPI via Twine…')
        os.system('twine upload dist/*')

        self.status('Pushing git tags…')
        os.system('git tag v{0}'.format(VERSION))
        os.system('git push --tags')

        sys.exit()


# Where the magic happens:
setup(
    # Self-descriptive entries which should always be present
    name=NAME,
    author=AUTHOR,
    author_email=EMAIL,
    description=short_description[0],
    long_description=long_description,
    #long_description_content_type="text/markdown",
    version=VERSION, #versioneer.get_version(),
    #cmdclass=versioneer.get_cmdclass(),
    license='MIT',
    keywords=KEYWORDS,
    # Which Python importable modules should be included when your package is installed
    # Handled automatically by setuptools. Use 'exclude' to prevent some specific
    # subpackage(s) from being added, if needed
    packages=find_packages(),

    # Optional include package data to ship with your package
    # Customize MANIFEST.in if the general case does not suit your needs
    # Comment out this line to prevent the files from being packaged with your software
    include_package_data=True,

    # Allows `setup.py test` to work correctly with pytest
    install_requires=REQUIRED,
    setup_requires=REQUIRED,
    extras_require=EXTRAS,

    # Additional entries you may want simply uncomment the lines you want and fill in the data
    url=URL,  # Website
    download_url=DOWNLOAD_URL, #current version
    # install_requires=[REQUIRED],              # Required packages, pulls from pip if needed; do not use for Conda deployment
    platforms=['Linux',
                'Mac OS-X',
                'Unix',
                'Windows'],            # Valid platforms your code works on, adjust to your flavor
    python_requires=">=3.5",          # Python version restrictions
    # Manual control if final package is compressible or not, set False to prevent the .egg from being made
    # zip_safe=False,
)