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Conference call notes 20230913

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Kenneth Hoste edited this page Sep 27, 2023 · 4 revisions

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Notes on the 229th EasyBuild conference call, Wednesday 13 Sep 2023 (08:00 UTC)

Attendees

List of attendees (9):

  • Simon Branford (Univ. of Birmingham, UK)
  • Alex Domingo (Vrije Universiteit Brussel, Belgium)
  • Kenneth Hoste (HPC-UGent, Belgium)
  • Kurt Lust (UAntwerpen, Belgium + LUMI User Support Team)
  • Alan O'Cais (CECAM)
  • Jörg Saßmannshausen (Imperial College London, UK)
  • Åke Sandgren (Umeå University, Sweden)
  • Alain van Hoof (TU Eindhoven, Netherlands)
  • Lars Viklund (Umeå University, Sweden)

Agenda

  • overview of recent developments
  • Q&A

Recent developments

  • latest EasyBuild release: 4.8.1 (11 Sept 2023)
    • ETA for next EasyBuild release: end of Oct'23
    • ETA for EasyBuild 5.0 release: by the end of 2023 (?)
  • recent changes
    • docs (merged PRs)
      • mention that --trace will be enabled by default in EasyBuild 5.x (PR #178)
      • update hooks documentation to cover new hooks in EasyBuild v4.8.1 (PR #208 + PR #210)
      • add foss/2023a and intel/2023a to overview of common toolchains (PR #209)
    • framework (merged PRs)
    • easyblocks (merged PRs)
      • bug fixes
        • correctly determine path to active binutils in TensorFlow easyblock (PR #2218)
        • patch Java binaries/libraries when using alternate sysroot to ensure correct glibc & co are picked up + add custom sanity check (PR #2557 + PR #2995)
        • unset $CPPFLAGS, $LDFLAGS, $LIB which may interfere with configure magic in Score-P easyblock (PR #2928)
      • enhancements
        • add options to MesonNinja easyblock to customize build_cmd, install_cmd, builddir (PR #2963)
          • inherit build_* and install_* custom easyconfig parameters from MesonNinja in CMakeNinja easyblock (PR #2993)
        • enhance Mesa easyblock to append EGL vendor library directory path to $__EGL_VENDOR_LIBRARY_DIRS (PR #2985)
        • enhance PETSc easyblock to support using custom $PETSC_ARCH (PR #2987)
      • updates
        • update Score-P easyblock to use --with-nocross-compiler-suite=nvhpc for recent software versions
        • handle new directory structure for Intel Advisor (PR #2942)
        • update TensorFlow easyblock for v2.13 since LMDB is no longer a dependency (PR #2982)
      • changes
        • rename LLVM dependency subdirectories instead of symlinking them (PR #2994)
      • new easyblocks
        • new custom easyblock for tensorflow-compression (PR #2990)
      • EasyBuild 5.0 (to 5.0.x branch)
        • ...
    • easyconfigs (merged PRs)
      • ~100 easyconfig PRs were merged since last conf call
      • bug fixes
        • add missing nbclassic extension to jupyter-server 1.21.0 (PR #18389)
        • consistently use ON/OFF for -DBUILD_SHARED_LIBS (PR #18484)
        • remove appending of $__EGL_VENDOR_LIBRARY_DIRS in recent Mesa easyconfigs, since Mesa easyblock now appends to it (PR #18630)
        • set $MUJOCO_PY_FORCE_CPU to avoid that mujoco-py checks for nvidia-smi and aborts installation because /usr/lib/nvidia is not in $LD_LIBRARY_PATH (PR #18641)
        • fix configure option to disable wxwidgets for gnuplot 5.4.6 (PR #18691)
        • strip out hardcoded -march=native used by RapidJSON 1.1.0 (PR #18725)
        • disable detection of Dbus broker for at-spi2-core (PR #18727)
        • add patch for MPFR 4.1.0 to fix failing tsprintf test with glibc >= 2.37 (PR #18746)
        • move wrapt 1.15.0 from foss/2022b to gfbf/2022b (PR #18752)
        • add patch for PMIx 4.x to use lchown so links are not followed (PR #18755)
      • enhancements
        • add test for easyconfig file permissions (PR #18647)
        • make sure that moduleclass is set in all easyconfig files (and is not set to default base moduleclass) (PR #18739)
        • simplify build and install options for Ghostscript (PR #18750)
      • (noteworthy) new software
      • noteworthy software updates
      • changes
        • rename notebook to JupyterNotebook (PR #18735)
        • filter out template + archived easyconfigs when determining changed easyconfigs in PRs (PR #18753)
  • work-in-progress
    • docs (open PRs + issues)
    • framework (open PRs + issues)
      • reported bugs / bug fixes
        • fix to_checksums with None values in dicts and recursion (PR #4159)
        • fix the checksum type check (PR #4164)
        • nested temporary directories for easystack items (issue #4291)
      • enhancements
        • add CI workflow to run unit tests with Python 2 (again) (WIP PR #4333)
          • still a handful of tests failing only with Python 2.7, both in CentOS 7.9 and Ubuntu 22.04 container
          • we should just skip those 4 failing tests on top Python 2.7
      • changes
        • avoid using a priority in prepend_module_path (Lmod) to avoid costly module calls (PR #3636)
        • reduce number of CI jobs by testing for Lua and Tcl module syntax in a single CI job (PR #4192)
      • EasyBuild 5.0 (to 5.0.x branch)
        • improved error reporting by run_shell_cmd function (now just raises subprocess.CalledProcessError)
        • should shell option for run_shell_cmd function be renamed to use_bash?
        • see also EasyBuild 5.0 sync meeting notes
    • easyblocks (open PRs + issues)
      • bug reports/fixes
        • fix extension filter for Perl packages (PR #2699)
        • fix creation of symlink for libraries in TBB easyblock (PR #2927)
        • add check to make sure that easyblocks that derive from Extension and customize sanity_check_step have a return statement (PR #2940)
        • RPackage easyblock is not compatible with --sanity-check-only (issue #2986)
      • enhancements
        • allow use of test_cmd without runtest for ConfigureMake (PR #2837)
        • enhance CMakeMake easyblock to run ctest command if runtest is True (PR #2838)
        • enhance Conda easyblock: add support for specifying list of conda packages and Python version to install + using mamba (PR #2992)
        • enhance Conda easyblock: add support for using custom conda command (like mamba), and clean up after installation (PR #2996)
        • update numpy easyblock to be able to use FlexiBLAS with MKL as dependcy (PR #2999)
      • updates
        • update IPP easyblock for versions > 2021 (PR #2909)
        • update CP2K easyblock for compatibility with CP2K v2023.1 release (GCC only) + fix GPU support (PR #2918)
        • update Clang-AOMP easyblock for ROCm 5.6 (PR #2958)
        • update CP2K easyblock to use do_regtest.py script for recent versions (WIP PR #2984)
        • update WRF easyblock to correctly determine wrf_subdir for version >= 4.5.1 (PR #2997)
      • new easyblocks
        • new custom easyblocks for Spparks and Stitch (PR #2948)
        • add generic CargoPythonBundle easyblock (PR #2964)
      • changes
        • ...
      • EasyBuild 5.0 (to 5.0.x branch)
        • ...
    • easyconfigs (open PRs + issues)
      • bug fixes/reports
        • installation of Transformers-4.29.2-foss-2022a.eb is broken, requires newer Rust (issue #18611)
        • remove executable flag from easyconfigs (PR #18646)
        • backport lchown patch to PMIx 3.1.x + 3.2.x (PR #18759)
      • enhancements
        • also run easyconfigs test suite with Python 3.11 (PR #18009)
        • Paraview 5.11.1 fat build compatible with hardware rendering, software rendering, headless server mode, as well as interactive mode (PR #18631)
      • new software
        • ...
      • noteworthy software updates
        • AlphaPulldown v0.30.7 w/ foss/2022a (WIP PR #18506)
        • intel/2023.07 (PR #18439)
          • awaiting bump to GCCcore/13.2.0 as dependency for intel-compilers...
        • PETSc 3.19.4 w/ foss/2023a (PR #18608)
        • PyTorch v1.13.1 w/ foss/2022a + CUDA 11.7.0 (PR #18424)
        • PyTorch v1.13.1 w/ foss/2022b (PR #18421)
        • Qt6 v6.5.2 (PR #18683)
        • rocm-smi v5.6.0 (PR #18278)
        • HIP v5.6.0 (amd) (PR #18277)
        • hipBLAS v1.0.0, rocBLAS v3.0.0, rocSOLVER v3.22.0, ... w/ ROCm 5.6.0 (PR #18772)
      • changes
        • ...

Q&A

  • We could look into an "EasyBuild maintenance" project at LUMI to test contributions related to AMD ROCm ecosystem
  • How to create a toolchain for AMD ROCm?
    • Kurt has some ideas on this
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