Skip to content

Getting Started

To use AiiDA-FANS, you need to take the following first steps.

  • Install FANS.
  • Install AiiDA version 2.X, either on the same machine as FANS or another that can SSH to it.
  • Install AiiDA-FANS in the same environment as AiiDA. See Installing the Plugin for more info.
  • Setup an AiiDA profile.
  • Setup a computer for the machine you intend to run FANS on.
  • Setup a code using the default_calc_job_plugin: fans config.

AiiDA often undergoes significant changes, so for details on how to accomplish many of these steps you should refer to the AiiDA docs for the latest information or the accompanying tutorial for details on a specific version of AiiDA that is likely still relevant.

FANS is a simple program to install via conda-forge. You can find out more about it, including alternative installation methods, on the FANS repository. You should consider installing FANS on a HPC to get the fullest out of its capabilities, and allowing AiiDA to access it via ssh.