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Conference call notes 20230412

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Kenneth Hoste edited this page Apr 12, 2023 · 2 revisions

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Notes on the 220th EasyBuild conference call, Wednesday 12 April 2023 (15:00 UTC)

Attendees

List of attendees (12):

  • Sebastian Achilles (JSC, Germany)
  • Alex Domingo (Vrije Universiteit Brussel, Belgium)
  • Fotis Georgatos (HPE)
  • Thomas Hayward-Schneider (Max Planck Institute for Plasma Physics, Germany)
  • Kenneth Hoste (HPC-UGent, Belgium)
  • Adam Huffman (Big Data Institute, Oxford, UK)
  • Kurt Lust (UAntwerpen, Belgium + LUMI User Support Team)
  • Sam Moors (Vrije Universiteit Brussel, Belgium)
  • Mikael Öhman (Chalmers University of Technology, Sweden)
  • Jurij Pečar (EMBL, Germany)
  • Jörg Saßmannshausen (Imperial College London, UK)
  • Jasper Grimm (University of York, UK)

Agenda

  • overview of recent developments + outlook to next release
  • Q&A

Recent developments

  • release timeline
    • latest release: EasyBuild v4.7.1 (20 Mar 2023)
    • ETA next release (EasyBuild v4.7.2?): Fri 21 April 2023
  • EasyBuild User Survey
    • 118 participants (new record, was 105 in previous survey)
    • detailed overview of survey results will be available soon!
  • recent changes
    • docs
      • review installation and configuration pages (PR #130 + PR #131)
      • only list requirements once on installation page (PR #135)
      • remove block on EasyBuild User Survey from landing page (PR #136)
    • framework
      • bug fixes
        • fix --check-github as gist url now includes username (PR #4231, fixes issue #4230)
        • switch to Ubuntu 22.04 in GitHub Actions workflow to run container tests (PR #4238)
      • enhancements
        • extend (experimental) support for generating container images with Apptainer (PR #3975)
      • changes
        • ...
      • EasyBuild 5.0 (to 5.0.x branch)
        • remove (deprecated) EasyBuild bootstrap script (PR #4233)
        • remove experimental support for YAML-based easyconfig format (.yeb) (PR #4237)
    • easyblocks
      • bug fixes
        • ...
      • enhancements
        • print message to inform that GPU package (instead of Kokkos) is used for LAMMPS (PR #2906)
        • enhance PyTorch easyblock to use FlexiBLAS for PyTorch >= 1.11.0 (PR #2915)
      • updates
        • ...
      • changes
        • ...
      • new software
        • ...
      • EasyBuild 5.0 (to 5.0.x branch)
    • easyconfigs
      • ~80 easyconfig PRs were merged since last conf call
      • bug fixes
        • add patch for GPAW-22.8.0 with 2022a toolchain to make test tolerance a bit less strict (PR #17618)
        • add alternative checksum for MONAI 1.0.1 (PR #17628)
        • add missing dependencies and add patch for fix incorrect ids for BRAKER v2.1.6 (PR #17631)
        • fix paths to Perl modules in MAKER v3.01.04 (PR #17629)
        • explicitely disable mpi/python in Boost (intel-compilers/2021.4.0) (PR #17638)
      • enhancements
        • add local::lib extension to Perl 5.34.0 (PR #17679)
      • (noteworthy) new software
      • noteworthy software updates
        • intel/2023.03 (PR #17676)
        • OpenFOAM 10 w/ foss/2022a (PR #17614)
        • SuiteSparse (PR #17625)
          • peak memory usage of 125GB mitigated by disabling optimization report with -qopt-report=0
          • should this be done automatically by SuiteSparse easyblock?
        • UCC-CUDA v1.1.0 w/ GCCcore/12.2.0 + UCC patch for component paths (PR #17255)
      • changes
        • ...
  • work in progress
    • docs
    • framework
      • reported bugs / bug fixes
        • Python packages are being installed to local/lib/python*/dist-packages due to tweaks to sysconfig.py in OS (issue #4128)
        • fix typo in condition guarding installation of GitHub token in CI workflow to run unit tests (PR #4216)
          • to fix tests that require GitHub token are always skipped in CI due to silly typo in GitHub Actions workflow (issue #4214)
          • work-in-progress because using $GITHUB_TOKEN that is provided by default doesn't seem to be working...
      • enhancements
      • changes
        • ...
      • EasyBuild 5.0 (to 5.0.x branch)
        • remove support for Python 2 and 3.5 (PR #4229)
          • EasyBuild 5.0 will require Python >= 3.6
          • use of easybuild.tools.py2vs3 is deprecated
          • we should create a docs page with detailed overview of (breaking) changes in EasyBuild 5.0, incl. overview of how to avoid relying on py2vs3
        • bump version to 5.0.0.dev0 (PR #4236)
    • easyblocks
      • bug reports/fixes
        • avoid warnings being treated as errors when installing imkl-FFTW with Intel OneAPI compilers and RPATH linking (PR #2912, see also issue #2910)
        • custom RPATH sanity check for Go packages that doesn't actually check for an RPATH section in the binary (PR #2913)
      • enhancements
        • let MATLAB easyblock raise an error if the MATLAB installation key is not provided #2905 (PR #2905)
      • updates
        • ...
      • new software
        • custom easyblock for RAxML (PR #2180)
        • new generic easyblock for installing Rust crates with cargo (PR#2902)
      • changes
        • ...
    • easyconfigs

Q&A

  • libcerf Fortran bindings as separate libcerf-Fortran easyconfig?
    • to avoid having to move gnuplot from GCCcore to GCC
  • PyTorch 1.13.1 PRs (PR #17155 + PR #17156)
    • skip failing tests for now + open issue to follow up, get easyconfig PRs merged
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