Metadata-Version: 1.1
Name: comp_chem_py
Version: 1.0
Summary: Computational chemistry library in python
Home-page: https://comp-chem-py.readthedocs.io/en/latest/
Author: Pablo Baudin
Author-email: pablo.baudin@epfl.ch
License: MIT
Description: |Documentation Status|
        |MIT license| 
        
        .. |Documentation Status| image:: https://readthedocs.org/projects/comp_chem_py/badge/?version=latest
           :target: http://comp_chem_py.readthedocs.io/?badge=latest
           
        .. |MIT license| image:: https://img.shields.io/badge/License-MIT-blue.svg
           :target: LICENSE
           
        
        Set up and installation
        =======================
        
        In order to use the library, first clone it::
        
           git clone --recursive https://gitlab.com/pablobaudin/comp_chem_py.git
        
        Then export the PATH in your ``~/.bashrc``::
        
           COMP_CHEM_PATH=/path/to/comp_chem_py/root/dir
           export PATH=${COMP_CHEM_PATH}/bin:$PATH
           export PYTHONPATH=${COMP_CHEM_PATH}/external:$PYTHONPATH
           export PYTHONPATH=${COMP_CHEM_PATH}/src:$PYTHONPATH
        
        
        Documentation
        =============
        
        * Please take a look at the code `documentation <http://comp_chem_py.readthedocs.io/en/latest/>`_ for more details. 
        
        
        .. todo::
           #. Keep improving documentation.
           #. Remove old_comp_chem_py repository/group and all subrepositories or archive it.
           #. Add tests. Maybe with doctest. They should also be included in the setup.py. See,
                 https://python-packaging.readthedocs.io/en/latest/testing.html
           #. Consider making comp_chem_utils an external submodule.
           #. Add section about requirements and dependencies on documentation.
           #. Add the ebsel package into setup.py using the git repo as,
                 dependency_links=['http://github.com/user/repo/tarball/master#egg=package-1.0']
        
        
        
Platform: UNKNOWN
Classifier: Development Status :: 3 - Alpha
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: MIT License
Classifier: Natural Language :: English
Classifier: Operating System :: POSIX :: Linux
Classifier: Operating System :: Unix
Classifier: Programming Language :: Python
Classifier: Programming Language :: Unix Shell
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Physics
