5. Install the pluginΒΆ
Here we will simply install the plugin before continuing.
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
Otherwise, set up a new virtual environment:
$ python -m venv ~/env/aiida-vasp
And then enable the newly installed virtual environment:
$ source ~/env/aiida-vasp/bin/activate
Install the AiiDA-VASP plugin (and AiiDA if that is not already installed):
$ (aiida-vasp) pip install aiida-vasp
Update the entry points that AiiDA are using:
$ (aiida-vasp) reentry scan -r aiida