Conference call notes 20240103 - easybuilders/easybuild GitHub Wiki

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Notes on the 237th EasyBuild conference call, Wednesday 3 Jan 2024 (09:00 UTC)

Attendees

List of attendees (6):

Simon Branford (Univ. of Birmingham, UK)
Kenneth Hoste (HPC-UGent, Belgium)
Kurt Lust (UAntwerpen, Belgium + LUMI User Support Team))
Sébastien Moretti (SIB, Switzerland))
Leonardo Honfi Camilo (Univ. of Wageningen, Netherlands)
Alexander Grund (TU Dresden, Germany)

Agenda

overview of recent developments
quick status update on development for EasyBuild 5.0
Q&A

Recent developments

latest EasyBuild release: 4.9.0 (30 Dec 2023)
- see release notes + highlights
next EasyBuild release: hopefully EasyBuild v5.0.0
- there will only be an EasyBuild v4.9.1 if there's a clear need for it
ETA for EasyBuild 5.0 release: hopefully first EasyBuild release of 2024
- started doing short sprint meetings, each Monday at 10:00 CE(S)T to set next 5 goals to tackle that week
- monthly sync meetings every 1st Wed of the month at 14:00 CE(S)T: next today Wed 3 Jan'24 at 14:00 CET
- see also https://hackmd.io/tZtz6vMmRfGL6N9Rf__OEA
recent changes
- docs (merged PRs)
  - ...
- framework (merged PRs)
  - bug fixes
    - fix support for Environment Modules as modules tool to pass unit tests with v4.2+ (PR #4369)
    - adapt module function check for Environment Modules v4+ (PR #4371)
    - relax major version match regex in find_related_easyconfigs using for --review-pr (PR #4385)
    - resolve templated values in extension names in _make_extension_list (PR #4392)
    - use more recent easyblocks PR in test_github_merge_pr (PR #4414)
  - enhancements
    - add support for --list-software --output-format=json (PR #4152)
    - adapt version pattern for EnvironmentModules to allow using development version (PR #4416)
    - use --all option with EnvironmentModules v4.6+ to get available hidden modules (PR #4417)
  - changes
    - ...
  - code cleanup
    - remove superflous string formatting (PR #4411)
    - clean up uses of getattr and hasattr (PR #4412)
  - EasyBuild 5.0 (to 5.0.x branch)
    - bug fixes
      - ...
    - changes
      - ...
- easyblocks (merged PRs)
  - bug fixes
    - add requirement for EULA acceptance to CUDA easyblock (PR #3045)
    - fix specifying path to SuiteSparse header files and libraries in numpy, Trilinos, PETSc easyblocks (PR #3056)
    - fix det_pylibdir provided by PythonPackage easyblock for Python 3.12+ (PR #3057)
    - take into account that binutils might be a filtered dependency for TensorFlow (PR #3058)
    - fix nvptx sanity check for Clang >= 14.x (PR #3059)
  - enhancements
    - add custom easyconfig parameter cmake_options to SuiteSparse easyblock (PR #3031)
  - updates
    - update custom easyblock for Intel MPI easyblock for v2021.11 (PR #3039)
    - update custom easyblock for Intel MKL for v2024.x (PR #3042)
  - changes
    - also consider $EB_COMSOL_LICENSE_FILE environment variable in custom easyblock for COMSOL (PR #3044)
  - new easyblocks
    - add generic CargoPythonBundle easyblock (PR #2964)
    - add custom easyblock for flook that includes install step (PR #3034)
  - EasyBuild 5.0 (to 5.0.x branch)
    - ...
- easyconfigs (merged PRs)
  - ~50 easyconfig PRs were merged since last conf call
  - bug fixes
    - use CargoPythonBundle generic easyblock for timm to install required Rust packages in a controlled way (PR #18332)
  - enhancements
    - ...
  - (noteworthy) new software
    - ...
  - noteworthy software updates
    - PyTorch v2.1.2 w/ foss/2022a (PR #19444) + foss/2022b (PR #19445)
      - easyconfig with CUDA is WIP
      - getting tests to work isn't really getting better with newer PyTorch versions...
      - we're running PyTorch test suite quite broadly, incl. "classic" Intel/AMD, AVX-512 (like Intel Sapphire Rapids), ...
    - foss/2023b (PR #19449)
    - intel/2023b (PR #19450)
  - changes
    - add versionsuffix -param to ReaxFF and add -sim variant (PR #19307)
    - let SuiteSparse easyblock set CMAKE_OPTIONS for SuiteSparse v7.1.0 (PR #19177)
  - EasyBuild 5.0 (to 5.0.x branch)
    - ...
work-in-progress
- docs (open PRs + issues)
  - project board to perform yearly review cycle of all documentation pages: https://github.com/orgs/easybuilders/projects/17/views/1
- framework (open PRs + issues)
  - reported bugs / bug fixes
    - Run unit tests on an updated version of Modules 4 (PR #4415)
  - enhancements
    - add check_group support for module files in Tcl syntax (PR #4418)
  - changes
    - drop load storm safe guard for Environment Modules v4.2.4+ (PR #4373)
    - use more performant and concise dict construction (PR #4410)
    - clean up & speed up environment checks (PR #4409)
  - EasyBuild 5.0 (to 5.0.x branch)
    - deprecate failure to resolve a template value (PR #3285)
    - detect Fortran .mod files in GCCcore installations (PR #4389)
    - rename unclear run methods to install extensions (PR #4400)
    - use run_shell_cmd in scripts (PR #4422)
    - implement support for 'stream_output' option in run_shell_cmd (PR #4423)
    - replace parallel easyconfig parameter by maxparallel (PR #4398)
- easyblocks (open PRs + issues)
  - bug reports/fixes
    - fix extension filter for Perl packages (PR #2699)
      - easyconfigs PR #18789 is a big step towards merging this, but there are other easyconfigs that needs to be tested first, like XML-LibXML, worker, GD, ...
    - implementation of CMake policy error for Python (WIP PR #3055)
      - see also https://github.com/easybuilders/easybuild-easyconfigs/pull/18963#issuecomment-1755794879
    - fix ELPA preprocessor flag for QuantumESPRESSO >= 7 (PR #3063)
  - enhancements
    - update KOKKOS_CPU_MAPPING for AArch64 in LAMMPS (WIP PR #3036)
    - refactor GAMESS-US easyblock to directly write install.info (v2) (PR #3047)
  - updates
    - update Clang-AOMP easyblock for ROCm 5.6 (PR #2958)
  - new easyblocks
    - new easyblock for DualSPHysics (PR #3050)
  - changes
    - ...
  - EasyBuild 5.0 (to 5.0.x branch)
    - enable download_dep_fail, use_pip, sanity_pip_check by default in PythonPackage easyblock (PR #3022)
      - needs some tests to make sure nothing is horribly broken (but should be fine)
      - follow-up is needed in easyconfigs, to:
        
        clean up easyconfigs in 5.0.x branch that now set use_pip & co to True (see easyconfigs PR #19265)
        
        explicitly set use_pip & co to False in (non-archived) easyconfig that currently don't specify them at all (which should be a minimal set of easyconfigs)
    - convert generic easyblocks to run_shell_cmd (PR #3046)
- easyconfigs (open PRs + issues)
  - bug fixes/reports
    - add patches for OpenBLAS v0.3.21 to disable -ftree-vectorize for netlib LAPACK (PR #19280)
  - enhancements
    - ...
  - new software
    - ...
  - noteworthy software updates
    - Qt5 v5.15.11 w/ GCCcore/13.2.0 (for foss/2023b) (PR #19320)
  - changes
    - ...
  - EasyBuild 5.0 (to 5.0.x branch)
    - clean up easyconfigs that explicitly set use_pip, sanity_pip_check and download_dep_fail (PR #19265)
  - closed PRs
    - ...

Q&A / others

EasyBuild User Meeting 2024
- Tue-Thu 23-25 April 2024 in Umeå (Sweden)