""" This is a setup script for installing the parser locally on python path with all the required dependencies. Used mainly for local testing. """ from setuptools import setup, find_packages #=============================================================================== def main(): # Start package setup setup( name="cp2kparser", version="0.1", package_data={ 'cp2kparser.versions.cp2k262': ['input_data/cp2k_input_tree.pickle'], }, description="NoMaD parser implementation for CP2K.", author="Lauri Himanen", author_email="lauri.himanen@aalto.fi", license="GPL3", package_dir={'': 'parser/parser-cp2k'}, packages=find_packages(), install_requires=[ 'future', 'pint', 'numpy', 'mdtraj', 'ase' ], ) # Run main function by default if __name__ == "__main__": main()