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

This package can be installed from PyPi, but it depends on MOPAC. On easy way to get
this package is from conda.

Create conda environment and install conda dependencies
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: bash

    conda create -n aleimi -c conda-forge python"<3.11" mopac
    conda activate aleimi
    pip install aleimi


Development version
~~~~~~~~~~~~~~~~~~~

.. code-block:: bash

    # To get the version on development
    pip install -U git+https://github.com/ale94mleon/aleimi.git@main

conda-forge
~~~~~~~~~~~

In the future it may be released also here.