Description

Getting Scientific Software Installed (VSC training)

Getting the software that is required to run your scientific workloads installed on a supercomputer can be a daunting task.

There is a wide variety of tools & techniques to consider, and the best option depends on various factors including which software you need, which system(s) you want to use, which programming language(s) the software is implemented in, etc.

In this training session, VSC staff will briefly present and demo various well-established tools & techniques for getting scientific software installed.

Both strong and weak points will be highlighted, and tradeoffs will be discussed.

The goal of this session is to empower researchers to make the right choice for their use, and kick-start them to efficiently deal with this ubiquitous burden.

In-person or virtual attendance (via Microsoft Teams) is free of cost, but registration is required.

Registration are closed, please contact compute@vscentrum.be to check if you can still join.

Sessions

• Mon 3 Nov 2025 (09:00-17:00): presentation session (in-person in Brussels + virtual via Teams)
  Venue:
  Belpaire - 03.Z.02 (3rd floor)
  Marie-Elisabeth Belpaire building (close to Brussels-North train station)
  Simon Bolivarlaan 17
  1000 Brussel
• Optional walk-in hands-on session (separate registration required - registration will open Mon 3 Nov'25)
  • Thu 6 Nov 2025 @ UGent (Multimediazaal, building S9, campus Sterre)
  • Thu 6 Nov 2025 @ VUB (Sablon room, Pleinlaan 9, 5th floor, Main Campus Etterbeek)
  • Thu 6 Nov 2025 @ KUL (ICTS Zaal D, A.390-71.00.23)
  • Thu 6 Nov 2025 @ UAntwerpen (room G.027 at campus Middelheim)

Agenda

(for Mon 3 Nov 2025)

• [09:00] Informal welcome (incl. coffee)
• [10:00] Introduction
• [10:15] Using environment modules
• [10:30] European Environment for Scientific Software Installations (EESSI)
• [11:00] Using container images (with Singularity/Apptainer)
• [11:30] Conda + mamba + pixi
• [12:00] (lunch break)
• [13:00] Language package managers: Python, pip, venv
• [13:30] Language package managers: R, Julia, Rust, Java
• [14:00] Manual building & installation of software
• [14:30] (coffee break)
• [15:00] Building container images (with Singularity/Apptainer)
• [15:30] EasyBuild & Spack
• [16:00] Creating and using patch files
• [16:15] Conclusions
• [16:30] Q&A
• [17:00] End

ORGANISation & speakers

This training is organized by the Flemish Supercomputer Centre (VSC)

• Kenneth Hoste & Lara Peeters (HPC support team, Ghent University)
• Alex Domingo & Sam Moors (HPC support team, Vrije Universiteit Brussel)
• Steven Vandenbrande & Maxime Van den Bossche (HPC support team, KU Leuven)
• Robin Verschoren (HPC support team, University of Antwerp)

More info

If you have any questions related to this training session, please contact compute@vscentrum.be