Installation

Pre-Requisites

Using Windows?

If you are on a Windows machine, we recommend using the Windows Subsystem for Linux (WSL) to benefit from all the features of quacc.

1. Install Python 3.9+, preferably in conjunction with an environment manager. For instance, download and run the Miniconda installer
2. When asked to add Miniconda to your PATH, select yes
3. Create a fresh Python environment by running conda create -n quacc python=3.10
4. Activate this environment via conda activate quacc

Installing quacc

In your newly activated conda environment, run the following commands to install quacc. Note that you will need to install quacc on all machines where you plan to run calculations.

For the latest PyPI release:

pip install quacc

For the development version:

pip install "quacc @ git+https://github.com/quantum-accelerators/quacc.git"