Tech stuff

This list is made for new people, who have been hired as RSEs at Aalto. This isn’t a list of what someone has to know to apply, and not what people should know before starting. It only provides a map, a RSE will incrementally learn things here (and probably things not on the list - this list is what we already know). In the future, we expect this list to be copied and reused in other contexts.

Someone might take ~6 months to slowly learn things on this list as they need them. Not everything will be needed.

Linux and shell

• Shell scripting and the OS interface

  • Advanced Bash SCripting guide: https://tldp.org/LDP/abs/html/

• Containers

  • Docker: https://docs.docker.com/get-started/overview/ (though we don’t Docker on the cluster, it’s good to know anyway)

  • Dockerfile reference: https://docs.docker.com/engine/reference/builder/

  • Apptainer (formerly called “singularity”):

    • This is what is actually used on the cluster

    • https://apptainer.org/docs/user/latest/

    • Key things: make own container, convert docker to apptainer, how to run on cluster

    • singularity_wrapper and how it works with Lmod: https://scicomp.aalto.fi/triton/usage/singularity/ (load a singularity module and you can see where the script is)

• Lmod:

  • https://lmod.readthedocs.io/en/latest/

  • (hint: personal modulefiles: mkdir ~/modulefiles ; module use ~/modulefiles)

  • Mainly basic use + writing modulefiles

• Conda

  • especially resolving GPU code related issues

Software development tools

• CodeRefinery lessons (https://coderefinery.org)

• git-intro: https://coderefinery.github.io/git-intro/

• and git-collaborative: https://coderefinery.github.io/git-collaborative/

• Reproducible Research: https://coderefinery.github.io/reproducible-research/

• Documentation: https://coderefinery.github.io/documentation/

• (Jupyter: https://coderefinery.github.io/jupyter/)

• Automated Testing https://coderefinery.github.io/testing/

• Modular type-along or Modular code developmenent presentation

• Social coding: https://coderefinery.github.io/social-coding/

There are a few other interesting CodeRefinery lessons: https://coderefinery.org/lessons/

HPC

• Triton tutorials is what we expect our users to know, and reading through these is enough (it will be familiar): https://scicomp.aalto.fi/triton/#tutorials

• And in general, browse (but not read in detail) the rest of the Triton https://scicomp.aalto.fi/triton/

Programming

Python

• Python virtual environments and Conda environments: https://scicomp.aalto.fi/scicomp/python/ , https://scicomp.aalto.fi/triton/apps/python/ * Be able to create a virtual environment

• Python module/package structure

• Python packaging * https://packaging.python.org/en/latest/tutorials/packaging-projects/ * setup.py vs pyproject.toml (newer)

• Python command line interfaces (argparse), installing interfaces via packages, …

• Other steps for a good project * Good project structure (module-name/module_name/) * Command line interface * Modular and maintainable code * Installable: setup.py vs pyproject.toml * Linter (if worth it) * Test coverage (if worth it) * Good documentation (README, code-level docs, sphinx + RTD/gh-pages) * Automated tests to the degree useful for the project. At least minimal. * Github Actions * PyPI release * conda-forge release * GH-action for releasing to PyPI/conda-forge

Examples: *

Data processing

• webdataset

• Small file management in various ways

• Exercise: i/o benchmarking

Data management

• FAIR data

• Open Science

• Aalto Data Agents webinars

Web stuff

• intro, debugging

• django?