""" MDEntropy: Analyze correlated motions in MD trajectories with only a few lines of Python. MDEntropy is a python library that allows users to perform information-theoretic analyses on molecular dynamics (MD) trajectories. """ import sys import subprocess from distutils.spawn import find_executable from setuptools import setup, find_packages from basesetup import write_version_py NAME = "mdentropy" VERSION = "0.4.0dev0" ISRELEASED = False __version__ = VERSION def readme_to_rst(): pandoc = find_executable('pandoc') if pandoc is None: raise RuntimeError("Turning the readme into a description requires " "pandoc.") long_description = subprocess.check_output( [pandoc, 'README.md', '-t', 'rst']) short_description = long_description.split('\n\n')[1] return { 'description': short_description, 'long_description': long_description, } def main(**kwargs): write_version_py(VERSION, ISRELEASED, 'mdentropy/version.py') setup( name=NAME, version=VERSION, platforms=("Windows", "Linux", "Mac OS-X", "Unix",), classifiers=( 'Intended Audience :: Science/Research', 'License :: OSI Approved :: MIT License', 'Programming Language :: Python', 'Programming Language :: Python :: 3', 'Programming Language :: Python :: 3.4', 'Programming Language :: Python :: 3.5', 'Operating System :: Unix', 'Operating System :: MacOS', 'Operating System :: Microsoft :: Windows', 'Topic :: Information Analysis', ), keywords="molecular dynamics entropy analysis", author="Carlos Xavier Hernández", author_email="cxh@stanford.edu", url='https://github.com/msmbuilder/%s' % NAME, download_url='https://github.com/msmbuilder/%s/tarball/master' % NAME, license='MIT', packages=find_packages(), include_package_data=True, package_data={ '': ['README.md', 'requirements.txt'], }, zip_safe=False, entry_points={ 'console_scripts': [ 'mdent = mdentropy.cli.main:main', ], }, **kwargs ) if __name__ == '__main__': kwargs = {} if any(e in sys.argv for e in ('upload', 'register', 'sdist')): kwargs = readme_to_rst() main(**kwargs)