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 the EasyBuild catalog (https://docs.easybuild.io/version-specific/supported-software/): With the environment and the EESSI-extensions module loaded, you can run EasyBuild:

    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