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

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

Development version

# 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.