Installing the program

The installation guide is also available in the README.md on the GitLab source page.

Installing from source

The source code can be downloaded from the GitLab source page.

git clone https://gitlab.com/Penguinprogram/penguin.git

Installing on Unix-like systems using conda

Installation of penguin requires a working python distribution such as Anaconda.
After cloning the Penguin repository, create a conda environment that has Veloxchem and pytest installed and activate it:

cd penguin
conda env create -f requirements.yaml
conda activate penguin_env

Now build and install penguin

pip install .

Finally test the installation by running:

pytest