2a. Setup a regular Python environmentΒΆ

We will now set up a standard Python virtual environment called aiida-vasp.

Please make sure that your virtual environment is activated at all times when performing operations that depends on it, or you want to install into it.

All relevant `AiiDA`_ configurations and the repository reside in a dedicated directory. We would recommend that you put this inside your directory of the virtual environment in order to keep everything pertaining to this environment in one location. In order to make sure `AiiDA`_ detects this, we need to set the AIIDA_PATH environmental variable. This can be done by exporting it in the active script of your virtual environment:

$ echo "export AIIDA_PATH=~/env/aiida-vasp" >> ~/env/aiida-vasp/bin/activate

where we have assumed you virtual environment is located in ~/env/aiida-vasp.

In addition to this, we would like to enable tab completion, which you can do by:

$ echo 'eval "$(_VERDI_COMPLETE=source verdi)"' >> ~/env/aiida-vasp/bin/activate