Installation

Install QS-2024

  1. Install Python

    If you don’t have Python installed, you can download it from the official website: https://www.python.org/downloads/

    Note

    Some Python distributions use python3 instead of python.

    If you are using a distribution that uses python3, you should replace python with python3 in all commands.

    Similarly, pip3 may need to be used instead of pip.

  2. Create a directory

    Create a directory where you want to install QS-2024. Run the following command:

    mkdir qs-2024

    This will create a new directory called qs-2024. Next, run:

    cd qs-2024

    This will move you to the directory you just created.

  3. Set up a virtual environment

    It is recommended to set up a virtual environment to install QS-2024. Run the following command:

    python -m venv .venv

    This will create a new directory called .venv with the virtual environment. Then, call:

    source .venv/bin/activate

    This will activate the virtual environment.

  4. Install from pip

    Install QS-2024 from pip with the following command:

    pip install quantumspectra-2024

    This will install all dependencies, the QS-2024 package, and the command line interface. Everything is now installed! You’re ready to proceed to Usage.

Update QS-2024

To update QS-2024, activate the environment and run the following command:

pip install --upgrade quantumspectra-2024

Configure GPU calculations

TODO