Conference call notes 20240327 - easybuilders/easybuild GitHub Wiki

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Notes on the 243rd EasyBuild conference call, Wednesday 27 Mar 2024 (09:00 UTC)

Attendees

List of attendees (XXX):

  • Alex Domingo (Vrije Universiteit Brussel, Belgium)

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)
    • (KH) blocked by framework PR to add support for --from-commit
  • 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
        • ...
      • enhancements
        • ...
      • changes
        • ...
      • code cleanup
        • ...
      • EasyBuild 5.0 (to 5.0.x branch)
        • bug fixes
          • ...
        • enhancements
          • ...
    • easyblocks (merged PRs)
      • bug fixes
        • remove trailing slash in SLEPC_DIR (PR #3229)
        • fix OpenFOAM easyblock to fix motorBike example in sanity check for v >=11 (PR #3232)
        • Feature improve QuantumESPRESSO easyblock (PR #3241)
          • essentially a re-write of the QuantumESPRESSO easyblock
        • Removed FoX constraint on GIPAW for QuantumESPRESSO easyblock (PR #3258)
      • enhancements
        • allow overriding testinstall in PyTorch easyconfigs (PR #3250)
        • set $LIBRARY_PATH and disable building of NVPTX offload support on RISC-V systems (PR #3256)
      • updates
        • ...
      • changes
        • do not rename GCC's include-fixed directory by default + add script to regenerate it (PR #3254)
      • new easyblocks
        • ...
      • EasyBuild 5.0 (to 5.0.x branch)
        • bug fixes:
          • ...
        • changes:
          • ...
        • enhancements:
          • change tar command used in get_source_tarball_from_git to get reproducible tarballs (PR #4248)
          • also run unit tests with Python 3.12 (PR #4484)
    • easyconfigs (merged PRs)
      • ~125 easyconfig PRs were merged since last conf call
      • bug fixes/reports
        • fix finding correct Python for MDI (PR #20083)
          • recent changes to CMakeMake to ensure that correct Python is picked up are not working as hoped?
          • cfr. easyblocks PR #3088
        • add patch to fix multiarch support for RISC-V to all GCCcore 12.x and 13.x easyconfigs (easyconfigs #20035)
        • switch to gitlab source URL for libxc + add alternative checksum (PR #20163)
        • fix post-install command for SuperLU_DIST in case library prefix is lib instead of lib64 (PR #20162)
        • use 32-bit indexing for SUNDIALS 6.6.0 (with foss/2023a) to enable sunmatrix-cusparse (PR #20075)
        • Fix test issues in PyTorch-2.1.2-foss-2023a-CUDA-12.1.1 (PR #20156)
        • add patch to fix PyTorch for Linux kernel 6.x (PRs #20177, #20176, #20178, #20179, #20180, #20181, #20182)
        • Fix several typos in GlobalArrays 5.8.x configure step (PR #20188)
        • Add missing zlib + OpenSSL deps to Ruby easyconfigs + promote binutils to runtime dependency (PR #20214)
        • Add patch for jupyter_core extension in jupyter-server to set jupyter path by $EB_ENV_JUPYTER_ROOT (PR #19737)
        • add patch to fix tree-optimization bug in GCC 12.3.0 and 13.1.0 for ARM architectures with SVE support (PR #20218)
      • enhancements
        • Add support for Vulkan software rendering in Mesa v23.1.9 (PR #20069)
        • Enable LittleCMS2 and WebP support in recent Pillow (PR #20195)
      • (noteworthy) new software
        • ...
      • noteworthy software updates
      • changes
        • Unify Z3 4.12.2 easyconfigs into a single one with Python bindings (and fix Z3 dependency for PyTorch 2.1.2 accordingly) (PR #20050)
        • add GPAW-setups v24.1.0 + use it in existing GPAW easyconfigs (PR #20117)
      • 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
          • 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)
          • add mechanism for easyconfig template deprecation (PR #4485)
          • Log shell cmds to temp file which allow users to revisit them (PR #4486)
        • dormant PRs/issues (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
        • ensure localrc is created in the correct subdir for NVHPC v22.9+ (PR #3240)
        • 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)
        • 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)
      • enhancements
        • Correct configuration of QuantumESPRESSO for 6.7/7.2 (PR #20070)
      • new software
        • ...
      • noteworthy software updates
        • Qt5 v5.15.13 w/ GCCcore/13.2.0 (for foss/2023b) (WIP PR #20201
        • jax v0.4.24 w/ foss/2023a + CUDA 12.1.1 (PR #19841)
      • changes
        • ...
      • 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!
  • ...