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Conference call notes 20221026

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Kenneth Hoste edited this page Oct 25, 2022 · 8 revisions

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Notes on the 208th EasyBuild conference call, Wednesday 26 October 2022 (15:00 UTC)

Attendees

List of attendees (XXX):

  • Kenneth Hoste (HPC-UGent)

  • Simon Branford (Univ. of Birmingham, UK)

  • Jasper Grimm (University of York, UK)

  • Adam Huffman (Big Data Institute, Oxford, UK)

  • Kurt Lust (UAntwerpen & LUST)

  • Sebastien Moretti (SIB, Switzerland)

  • Mikael Öhman (Chalmers University of Technology, Sweden)

  • Jurij Pečar (EMBL, Germany)

  • Jörg Saßmannshausen (Imperial College London, UK)

  • Åke Sandgren (Umeå University, Sweden)

  • Caspar van Leeuwen (SURF, Netherlands)

Agenda

  • overview of recent developments + outlook to next EasyBuild release
  • impact of vectorizer fixes for GCC + OpenBLAS
  • call for help: porting EasyBuild docs to MarkDown
  • Q&A

Recent developments

  • release timeline
    • latest release: EasyBuild v4.6.2 (21 Oct 2022)
    • ETA next release (EasyBuild v4.6.3?): by end of Nov?
  • recent changes
  • work in progress
    • framework
      • reported bugs / bug fixes
        • NameError: name 'Group' is not defined (because Rich version installed is too old) (PR #4045)
        • fix trying to generate RPATH wrappers for Clang (PR #4088)
      • enhancements
        • add support for easystack file that contains easyconfig filenames + implement parsing of configuration options (PR #4021)
        • adding support for the use of --from-pr _and other options) in easystack files (WIP PR #4057)
        • add support for --sources-url to fetch sources from additional URLs (PR #4079)
        • we should set $CUDAARCHS environment variable (plus additional cuda_cc_ template) (issue #4086)
      • changes
        • replaced distutils LooseVersion with packaging.version.parse (PR #4074)
          • alternative to PR #3794 which "vendors" LooseVersion into EasyBuild (and avoids introducing a dependency on a Python package outside of the Python standard library)
          • this change should only be done for EasyBuild v5.0 (in a dedicated 5.x branch)?
    • easyblocks
      • bug reports/fixes
        • fix installing of Clang with RPATH linking [WIP] (PR #2799)
      • enhancements
        • add support for CP2K QM/MM in GROMACS easyblock (PR #2750)
        • enhance psmpi easyblock to activate CUDA support when it is a dependency + make check for static libs in MPICH easyblock optional (PR #2787)
      • updates
        • update GAMESS-US easyblock for newer versions (PR #2791)
        • update PETSc easyblock for newer versions (PR #2796)
      • new software
        • add easyblock for CUDA compatibility libraries (PR #2764)
      • changes
        • make the check for mpirun optional in OpenMPI easyblock (PR #2788)
    • easyconfigs
      • still over 700 open easyconfig PRs...
      • bug fixes/reports
        • LAPACK tests are failing with OpenBLAS-0.3.20 and GCC-11.3.0 (issue #16380)
          • OpenBLAS easyblock should be enhanced so the test step fails if any serious problems are found
          • OpenBLAS-0.3.20-GCCcore-11.3.0.eb should be changed to disable use of -ftree-vectorize
          • are more changes required short-term?
          • should we stop trying to control the compiler options used for OpenBLAS?
          • we should also revist the ignored scipy failing tests (cfr. issue #2237)
        • FlexiBLAS cause core dump (simple test example) (issue #16387)
      • new software
      • noteworthy software updates
      • changes
        • ...

Impact of vectorizer fixes for GCC + OpenBLAS

Call for help: porting EasyBuild docs to MarkDown

Q&A

  • ...
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