.. highlight:: rst

Installation
============

Gromorg can be installed directly from the source code (python package) or via PyPI repository.

Requirements
------------

- PyQchem (https://github.com/abelcarreras/PyQchem)
- Gromacs (gmxapi) [Tested on 2025/0.4.1] (http://www.gromacs.org)
- Openbabel [Tested on v3.1] (python API) (http://openbabel.org)
- MDtraj (https://www.mdtraj.org)

Install
-------

1) From source code ::

    python setup.py install --user

2) From PyPI repository ::

    pip install gromorg --user