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Conference call notes 20240313

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Kenneth Hoste edited this page Mar 13, 2024 · 1 revision

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Notes on the 242nd EasyBuild conference call, Wednesday 13 Mar 2024 (09:00 UTC)

Attendees

List of attendees (18):

  • Raj Ayyampalayam
  • Alex Domingo (Vrije Universiteit Brussel, Belgium)
  • Em Dragowsky (Case Western Reserve University, Ohio, US)
  • Davide Grassano (CECAM, Switzerland)
  • Jasper Grimm (University of York, UK)
  • Alexander Grund (TU Dresden, Germany)
  • Kenneth Hoste (HPC-UGent, Belgium)
  • Adam Huffman (Big Data Institute, Oxford, UK)
  • Ian Kirker (University College London, UK)
  • Sam Moors (Vrije Universiteit Brussel, Belgium)
  • Sébastien Moretti (SIB, Switzerland)
  • Mikael Öhman (Chalmers University of Technology, Sweden)
  • Bart Oldeman (Digital Research Alliance of Canada)
  • Jörg Saßmannshausen (Imperial College London, UK)
  • Åke Sandgren (Umeå University, Sweden)
  • Cintia Willemyns (Vrije Universiteit Brussel, Belgium)
  • Iker
  • Lars Viklund (Umeå University, Sweden)

Agenda

  • overview of recent developments
  • Q&A

Recent developments

  • latest EasyBuild release: 4.9.0 (30 Dec 2023)
  • next EasyBuild release: EasyBuild v4.9.1 (ASAP)
  • ETA for EasyBuild 5.0 release: in the coming weeks...
    • started doing short sprint meetings, each Monday at 15:00 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 7 Feb'24 at 14:00 CET
    • see also 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
  • recent changes
    • docs (merged PRs)
      • split out default config changes and remove proposed changes for EasyBuild v5.0 (PR #242)
    • framework (merged PRs)
      • bug fixes
        • fix test_github_merge_pr by using more recent easyconfigs PR (PR #4470)
        • add workaround for 404 error when installing packages in CI workflow for testing Apptainer integration (PR #4472)
      • enhancements
        • Improve logging & handling of (empty) --optarch values (PR #4481)
      • changes
        • ...
      • code cleanup
        • ...
      • EasyBuild 5.0 (to 5.0.x branch)
        • bug fixes
          • update easyblocks for toy extensions to make sure that asynchronous installation command is run in correct working directory (PR #4471)
          • fix easyconfig parameter deprecation (PR #4479)
          • clean up parameter deprecation warnings, and update easybuild doc urls (PR #4480)
        • changes
          • rename unclear *run* methods to *install_extension* + rename install_extensions to install_all_extensions (PR #4400)
          • eliminate distutils.util.strtobool (PR #4477)
          • eliminate use of distutils.version.StrictVersion, use LooseVersion instead (PR #4476)
            • see also: stop relying on distutils (will no longer be available in Python 3.12) (issue #3963)
        • enhancements
          • replace log.warn with log.warning (PR #4473)
    • easyblocks (merged PRs)
      • bug fixes
        • only run torchvision w/cuda sanity check command test if GPU is present (PR #3236)
        • Remove wrong configure option for LibInt 2.6.x (PR #3249)
      • enhancements
        • use proxy in sanity check of EB_OpenSSL_wrapper (PR #2922)
      • updates
        • fix OCaml easyblock for recent versions (PR #3235)
      • changes
        • ...
      • new easyblocks
        • ...
      • EasyBuild 5.0 (to 5.0.x branch)
        • bug fixes:
          • update RPackage to make sure that asynchronous installation command is run in correct working directory (PR #3242)
        • changes:
          • rename run method to install_extension, and likewise for prerun to pre_install_extension, postrun to post_install_extension, and run_async to install_extension_async (PR #3064)
          • replace run_cmd with run_shell_cmd in various custom easyblock for LAMMPS (dozens of PRs)
          • remove unused custom easyblock for libsmm (PR #3216), NEMO (PR #3202)
        • enhancements:
          • replace log.warn with log.warning (PR #3245)
    • easyconfigs (merged PRs)
      • ~75 easyconfig PRs were merged since last conf call
      • bug fixes/reports
        • add patch to fix failing tests with OpenSSL 3.x for Net-SSLeay v1.92 extension in Perl-bundle-CPAN v5.36.1 #20090
      • enhancements
        • ...
      • (noteworthy) new software
        • ...
      • noteworthy software updates
        • ...
      • changes
        • ...
      • EasyBuild 5.0 (to 5.0.x branch)
    • docs (open PRs + issues)
    • framework (open PRs + issues)
      • reported bugs / bug fixes
        • ...
      • enhancements
        • add support for data installations (PR #4474)
        • add support for --from-commit and --include-easyblocks-from-commit (WIP PR #4468)
      • changes
        • ...
      • EasyBuild 5.0 (to 5.0.x branch)
        • active PRs
          • change tar command used in get_source_tarball_from_git to get reproducible tarballs (PR #4248)
            • awaiting feedback from contributor on Alex' suggestions...
          • implement support for running interactive commands with run_shell_cmd (WIP PR #4453)
            • TODO: support for qa_wait_patterns (WIP) + some more tests + testing with actual easyblock that uses interactive commands
          • rename easyconfig parameters (PR #4483)
            • see also: refactor easyconfig parameters and template constants to use a consistent naming style (issue #4464)
          • add support for disabling strict RPATH sanity check (PR #4475)
            • to deal with mixing of RPATH and non-RPATH installations
            • needs more work (incorrect regex)
          • Remove distutils use from setup.py (PR #4478)
        • dormant issues/PRs (for now)
          • deprecate failure to resolve a template value (PR #3285)
          • drop load storm safe guard for Environment Modules v4.2.4+ (PR #4373)
            • we should also enable depends_on by default when using Lmod as modules tool in EasyBuild 5.0
          • replace parallel easyconfig parameter by maxparallel (PR #4398)
          • bump minimum required Tmod (4.x) to 4.3.0 (PR #4425)
            • requires that PR #4415 is merged first
          • deprecate run_cmd and run_cmd_qa & co, move them to easybuild._deprecated module (WIP) (PR #4433)
            • requires that implementation of run_shell_cmd is complete, incl. support for asynchronously running commands and running interactive shell commands (WIP)
          • support uninstalling software + module (issue #590)
          • clean up SLURM/Batchsystem environment before doing builds (issue #4434)
            • unset all $SLURM_* environment variables to avoid trouble with srun/MPI
            • should be done opt-in (--clean-slurm-env configuration option)
    • easyblocks (open PRs + issues)
      • bug reports/fixes
        • remove trailing slash in SLEPC_DIR (PR #3229)
        • fix OpenFOAM easyblock to correctly have is_dot_org as True when v >=11 and fix motorBike example for v >=11 (PR #3232)
        • ensure localrc is created in the correct subdir for NVHPC v22.9+ (PR #3240)
        • Feature improve QuantumESPRESSO easyblock (PR #3241)
        • Don't rename GCCs include-fixed directory by default and add script to regenerate it (PR #3254)
        • RPATH sanity check fails for OCaml (issue #3247)
      • enhancements
        • Support GROMACS builds with SYCL (AdaptiveCpp implementation) (PR #3077)
        • Score-P easyblock: Select the oneAPI compiler suite when enabled in the Intel compiler toolchain (PR #3228)
        • enhance CMakeMake easyblock to check whether correct Python installation was picked up by cmake (PR #3233)
        • Make OpenBLAS easyblock aware to --optarch=GENERIC (issue #3230)
        • make a project environment and manage LOAD_PATH for JuliaPackage (PR #3239)
        • allow overriding testinstall in PyTorch easyconfigs + use --verbose option when using pip (PR #3250)
        • Explicitely mention that the PyTorch easyblock needs updating when failing for this reason (PR #3255)
      • updates
        • Update namd.py to run successfully NAMD-3.0b6-foss-2023a-mpi.eb (PR #3248)
      • new easyblocks
        • add generic Dataset easyblock (PR #3246)
      • changes
        • Always set $EBPYTHONPREFIXES instead of $PYTHONPATH (issue #2887)
      • EasyBuild 5.0 (to 5.0.x branch)
        • fix extension filter for Perl packages (PR #2699)
        • update ConfigureMake easyblock to error out on unknown configure args (PR #3025 + #3026)
        • set CMake installation LIBDIR to lib by default in CMakeMake easyblock (PR #3227)
    • easyconfigs (open PRs + issues)
      • bug fixes/reports
        • RPATH sanity check fails for LAMMPS when (not all) dependencies are installed with RPATH (issue #20051)
        • Quantum espresso 7.2 gives segmentation faults if compiled with OpenMP (issue #20077)
        • add wrapper for Julia with linking safeguards and delegate environment setup to JuliaPackage (PR #20103)
        • strip Suprressor out of ResistanceGA (PR #20106)
        • add multiarch support for RISC-V to all GCCcore 12.x and 13.x easyconfigs (PR #20035)
      • enhancements
        • Correct configuration of QuantumESPRESSO for 6.7/7.2 (PR #20070)
      • new software
        • ...
      • noteworthy software updates
        • OpenSSL/3 (PR #19623)
        • Qt5 v5.15.11 w/ GCCcore/13.2.0 (for foss/2023b) (WIP PR #19320)
        • jax v0.4.24 w/ foss/2023a + CUDA 12.1.1 (PR #19841)
        • CUDA v12.4.0 + GCCcore/13.2.0 (PR #20107)
        • Added QuantumESPRESSO easyconfigs for 7.3 (both intel and foss) (PR #20105)
      • changes
        • unify Z3 easyconfigs into a single one with Python bindings (PR #20050)
      • EasyBuild 5.0 (to 5.0.x branch)
        • replace parallel by maxparallel (PR #19375)
        • detect easyconfigs where missing information about downloading sources (PR #19881)
      • closed PRs
        • ...

Q&A / others

  • EasyBuild User Meeting 2024 - agenda
    • https://easybuild.io/eum
    • suggestions for talk welcome!
    • draft agenda is being puzzled together behind the scenes
    • suggestions/ideas for talks still welcome!
  • Does the generoso test cluster have a GPU?
    • No :)
  • Any reason PR for OpenMPI 5.0.2 isn't merged (PR #17561)
    • no, can be merged if test bots are happy with it
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