5. Install the pluginΒΆ

Here we will simply install the plugin before continuing.

  1. If you are already using AiiDA, simply activate the virtual environment associated with it, here assumed to be located in ~/env/aiida-vasp:

    $ source ~/env/aiida-vasp/bin/activate
  2. Otherwise, set up a new virtual environment:

    $ python -m venv ~/env/aiida-vasp
  3. And then enable the newly installed virtual environment:

    $ source ~/env/aiida-vasp/bin/activate
  4. Install the AiiDA-VASP plugin (and AiiDA if that is not already installed):

    $ (aiida-vasp) pip install aiida-vasp
  5. Update the entry points that AiiDA are using:

    $ (aiida-vasp) reentry scan -r aiida