EasyBuild

EasyBuild provides a robust, customizable, and scalable way to automatically build, install, and manage scientific software on HPC environments—ensuring consistent, efficient, and repeatable deployments.

1. Initialize the EESSI environment: To make the EESSI software available, you first need to source the EESSI initialization script for the 2023.06 version. This command sets up your bash shell environment:

   source /cvmfs/software.eessi.io/versions/2023.06/init/bash
   

2. Load EasyBuild program:

   module load EESSI-extend/2023.06-easybuild
   

3. Build the required program available in EasyBuild catalog: With the environment and EESSI-extend module loaded, you can run EasyBuild (eb <easyconfig>.eb):

   eb OpenBabel-3.1.1-gompi-2023a.eb
   

   If your version already exists, you can add --rebuild to force a rebuild in your namespace:

   eb OpenBabel-3.1.1-gompi-2023a.eb --rebuild
   

4. Load module built:

   module load OpenBabel/3.1.1-gompi-2023a
   

   This makes the obabel, babel, and the Python/Pybel module available for use.

Last update by Milán SZŐRI: 2025-06-15