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README.org

Reproducible software deployment in scientific computing

presented on <2023-09-19 二>

Abstract

Support teams of HPC systems often find themselves faced with an impossible task: operate complex systems conservatively, but also support scientists in deploying and running bleeding-edge scientific software. Their unique position of power in an otherwise restrictive environment gives them an often underappreciated role in the collaborative effort of truly reproducible computational science.

In this talk we address the need for reproducibility and how it relates to software deployment, inspect tradeoffs of existing approaches, and lay out implications and recommendations for system administrators. We will demystify containers and introduce a declarative functional approach to reproducible and portable software environments using GNU Guix, and demonstrate possible integrations with scientific workflows.

Building the slides

guix shell -m manifest.scm -- make

How to present with notes

guix shell pdfpc -- pdfpc slides.pdf -R script.pdfpc