Installing the Plugin

The plugin consists of two parts: the input and the output plugin. These can be found in correspondingly named directories at the top-level of the AiiDA VASP Plugin distribution directory.

There are two ways to add the VASP Plugin to AiiDA. You can either symlink or copy the plugin directories to the appropriate AiiDA distribution directory. The directories must be renamed as explained below. The package imports inside the modules will be broken if this is not done correctly!

Note

In the following we will assume that the AiiDA VASP Plugin is located inside the ~/aiida_vasp_plugin/ directory and the AiiDA distribution is located inside the ~/aiida_dir/. Please modify these paths correspondingly!

To proceed with the installation follow method A or method B, according to your preferences.

Method B - Copy

First you need to copy the input plugin:

cp -r ~/aiida_vasp_plugin/input ~/aiida_dir/aiida/orm/calculation/job/vasp

and then the output plugin:

cp -r ~/aiida_vasp_plugin/output ~/aiida_dir/aiida/parsers/plugins/vasp

to the corresponding AiiDA directories.

If everything went ok you should be able to import these modules from your python console.

Check installation

Open your python console and try to import the packages:

import aiida.orm.calculation.job.vasp
import aiida.parsers.plugins.vasp

Note

If you get an error here please check that you have provided the correct paths to the copy/symlink commands above.