Conference call notes 20240508

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Notes on the 245th EasyBuild conference call, Wednesday 8 May 2024 (15:00 UTC)

Attendees

List of attendees (11):

• Alex Domingo
• Bart Oldeman
• Chia-Jung Hsu
• Jasper Grimm
• Jurij Peĉar
• Kurt Lust
• Mikael
• Sebastian Achilles
• Simon Branford
• Thomas Hoffmann
• Thomas Langford

Agenda

• overview of recent developments
• Q&A

Recent developments

• next EasyBuild release: EasyBuild v5.0.0
  • detailed notes on latest developments in https://hackmd.io/tZtz6vMmRfGL6N9Rf__OEA
  • to test development version of EasyBuild 5.0:

    # set up Python virtual environment, and jump into it
    python3 -m venv eb5
    source eb5/bin/activate
    
    # install EasyBuild 5.0 development version into it
    pip install https://github.com/easybuilders/easybuild-framework/archive/5.0.x.tar.gz
    pip install https://github.com/easybuilders/easybuild-easyblocks/archive/5.0.x.tar.gz
    pip install https://github.com/easybuilders/easybuild-easyconfigs/archive/5.0.x.tar.gz
    
    # go!
    eb --version

Merged PRs

• docs (merged PRs)

  • ...

• framework (merged PRs)

  • bug fixes
    • don't delete existing environment module files when using --dump-env-script with --force or --rebuild (PR #4512)
  • enhancements
    • replace run_cmd with run_shell_cmd (PR #4433, PR #4453, PR #4504, PR #4509)
    • reproducible tarballs of sourced from git repos (PR #4517, PR #4522)
  • changes
    • deprecate old checksum options and set SHA256 as default (PR #4523, PR #4526)
  • code cleanup
    • remove Python 2 compat in LooseVersion (PR #4524)

• easyblocks (merged PRs)

  • bug fixes
    • use ERROR global from tools.config in clan/TF easyblocks (PR #3318, PR #3320)
  • enhancements
    • add/improve support of RISC-V
      • Mesa (PR #3324)
      • Java (PR #3323)
      • FFTW (PR #3314)
      • UCX (PR #3315)
    • replace run_cmd with run_shell_cmd (many PRs)
    • Allow 'nosource: True' in PythonPackage extensions' (PR #3305)
  • updates
  • changes
  • new easyblocks
    • optiSlang (PR #3300)

• easyconfigs (merged PRs)

  • ~75 easyconfig PRs were merged since last conf call
  • bug fixes/reports
    • CVE-2024-27322 in R (PR #20464, PR #20463, PR #20462)
    • add patch for GROMACS 2024.1 to fix filesystem race in tests (PR #20439)
    • install pkg-config files for GCCcore builds of ncurses 6.4 (PR #20405)
  • enhancements
    • add/improve support of RISC-V
      • Java 21 (PR #20495)
      • BLIS 0.9.0 (PR #20468)
      • UCC 1.2.0 (PR #20432)
      • UCX 1.5.0 (PR #20429)
  • (noteworthy) new software
    • ...
  • noteworthy software updates
    • GCC 14.1.0 (PR #20490)
    • PyTorch-bundle v2.1.2 (PR #20382)
    • ONNX v1.15.0 (PR #20351)

Open (active) PRs

• docs (open PRs + issues)

  • ...

• framework (open PRs + issues)\

  • enhancements
    • versions checks to avoid mixing major versions across the EB repositories (PR #4520)
  • changes
    • Prefer $EBPYTHONPREFIXES over $PYTHONPATH (framework PR #4496)
    • add support for alternate easyconfig parameters/templates/constants (framework #4511)
    • Standarize behaviour on CWD changes (PR #4525, PR #4390)

• easyblocks (open PRs + issues)

  • changes
    • update ConfigureMake easyblock to error out on unknown configure args (PR #3025)
    • set CMAKE_INSTALL_LIBDIR to lib by default (PR #3227, PR #20487)

• easyconfigs (open PRs + issues)

  • updates
    • QuantumESPRESSO:
      • 7.3.1 with cmake (PR #20138
      • Correct configuration of QuantumESPRESSO for 6.7/7.2/7.3, move all QE easyconfigs to "legacy" easyblock (PR #20070
    • jax 0.4.25 (PR #20119)
    • OpenMPI v5.0.3, PMIx v5.0.2 (PR #17561)
    • RELION v5.0.0_beta.2024.0.01 w/ CUDA 12.1.1 9PR #19678)
    • GAMESS-US v20230930-R2 and v20220930-R2 (PR #19310, PR #19452)

Q&A / others

• Simon: made PR for "versions checks to avoid mixing major versions across the EB repositories" (PR #4520)
  • Simon: check that PRs do not mix versions of framework and easyblock, or use the wrong repository version than what is targeted in the PR
  • Alex: compatible with the proposed easybuild_version parameter for easyconfigs
  • Mikael: not keen on incentivice users to stick with old versions
  • Simon: users mixing old easyblocks/easyconfigs with EB5 will get deprecation anyhow