Installation

aiida-fans

Here, we install the plugin from the Python Package Index. We recommended you use a virtual environment to do this, so as to encapsulate your AiiDA installation along with the plugin. There are many ways to produce virtual environments, and Pixi is one such suggestion.

Note

Currently, aiida-fans is only available via PyPI. We are working on making the plugin available through conda-forge. However, AiiDA recommends using pip to install plugins.

Once your virtual environment is active, you can add aiida-fans as a dependency or simply install it like so:

pip install aiida-fans

We assumed you have AiiDA and FANS installed, but if that’s not the case, here are some quick installation guides.

AiiDA

AiiDA needs to be installed in your environment along with aiida-fans. The plugin does include aiida-core as a dependency, but you may be better off installing it yourself as it comes with some options you should consider.

See the AiiDA Installation Guide for the full picture, or use the following to get started:

pip install aiida-core

FANS

FANS is not included as a dependency of aiida-fans by default as it is only required on the computer you plan to run it on. AiiDA allows you to run your jobs on a remote computer. See the FANS README on installation to learn more about how to install FANS from source, but to get started use:

conda install -c conda-forge FANS

If you wish to install FANS along with this plugin, however, you can specify the optional dependency like so:

pip install aiida-fans[FANS]