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

**konnektor** comes installed with `openfe <https://docs.openfree.energy/>`_ as of ``openfe v1.5.0``!

If you want to use **konnektor** as a standalone package, see below.

Installation from conda-forge
-----------------------------

**konnektor** can be installed from conda-forge using your choice of micromamba (recommended), mamba, or conda: ::

    $ micromamba create -c conda-forge -n konnektor konnektor
    $ micromamba activate konnektor


Developer Installation
----------------------

For developers, we recommend setting up a local developer installation so that your changes to the code are immediately reflected in the functionality.


First, clone the git repo ::

    $ git clone https://github.com/OpenFreeEnergy/konnektor.git
    $ cd konnektor


Then create and activate a conda environment that includes all of **konnektor's** dependencies ::

    $ micromamba env create -f environment.yaml
    $ micromamba activate konnektor


Finally, create an editable installation: ::

    $ python -m pip install -e .


Happy coding!