Conference call notes 20220316

(back to Conference calls)

Notes on the 193rd EasyBuild conference call, Wednesday 16 Mar 2022 (16:00 UTC)

Attendees

Alphabetical list of attendees (XXX):

• Kenneth Hoste (HPC-UGent, Belgium)

• Alex Domingo (VUB, Belgium)

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

• Kurt Lust (Univ. of Antwerpen, Belgium + LUMI User Support Team)

• Jörg Saßmannshausen (Imperial College London, UK)

• Jurij Pečar (EMBL, Germany)

• Åke Sandgren (Umeå University, Sweden)

• Sebastien Moretti (SIB, Switzerland)

• Lars Viklund (Umeå University, Sweden)

• Robert Mijakovic (LuxProvide, Luxembourg)

Agenda

• overview of recent developments
• Q&A

Recent developments

• release timeline
  • latest release: EasyBuild v4.5.3 (11 Feb 2022)
  • ETA next release: end of March'22?
• recent changes
  • framework
    • bug fixes
      • ...
    • enhancements
      • add support for post-install patches (PR #3974)
      • add a 'sync pr' message when the PR has a mergeable state but is showing a failed status for the test suite on the last commit (PR #3967)
      • support 'download_instructions' easyconfig parameter key to specify some download or installation steps for user in case of complicated way of obtaining needed files (PR #3976)
    • changes
      • ...
  • easyblocks
    • bug fixes
      • enable system SSL certificates in OpenSSL installations (PR #2683)
        • fixes (issue #2674)
      • force use of bash for Anaconda install script (PR #2692)
      • add guess for $MANPATH for intel-compilers (PR #2696)
    • enhancements
      • ...
    • updates
      • avoid dependency on 'which' command in sanity check for Python, use 'command -v' instead (PR #2687)
      • update wxPython easyblock to support wxPython v4.1 (PR #2689)
    • changes
      • ...
    • new software
      • ...
  • easyconfigs
    • ~40 easyconfig PRs merged since last conf call
    • bug fixes
      • set XLA_PYTHON_CLIENT_ALLOCATOR=platform for running tests in jax CUDA easyconfigs (PR #15097)
    • enhancements
      • (nothing particularly noteworthy?)
    • (noteworthy) new software
      • see also overview at https://github.com/easybuilders/easybuild-easyconfigs/issues?q=is%3Amerged+label%3Anew
      • (nothing particularly noteworthy?)
    • noteworthy software updates
    • OpenBLAS 0.3.20 (PR #15092)
    • changes
      • downgrade dependency on nodejs + use jupyter-server-proxy in jupyter-matlab-proxy and configurable-http-proxy easyconfigs (PR #14942)
      • consistently use system toolchain in EasyBuild easyconfigs (PR #15126)
  • framework
    • reported bugs / bug fixes
      • log files in robot build leak into each other (issue #3533)
    • enhancements
      • add end-to-end test for running EasyBuild in different Linux distros using containers (PR #3968)
        • using containers from easybuild-containers repo
      • use 'zypper search -i' to check whether specified OS dependency is installed on openSUSE (PR #3973)
      • extend (experimental) support for generating container images with Apptainer (PR #3975)
      • add support for collecting GPU info (via rocm-smi) (PR #3978)
      • allow using MKL from FlexiBLAS via $FLEXIBLAS_LIBRARY_PATH (PR #2964)
    • changes
      • ...
  • easyblocks
    • bug reports/fixes
      • set $NINJAFLAGS to make sure Ninja doesn't use all visible cores when building Qt5 (PR #2338)
        • so be done more generally in EasyBuild framework instead?
        • perhaps only when Ninja is included as a build dependency?
      • enhance PythonPackage to take into account $PYTHONPATH changes in setuptools >= 49.0.0 (issue #2693)
    • enhancements
      • add automatic CUDA support for ELPA (PR #2673)
      • enhance Clang easyblock to add support for building with AMDGPU offload (PR #2684)
    • updates
      • update Siesta EasyBlock to support GCC 10+ by adding -fallow-argument-mismatch Fortran compiler option (PR #2690)
    • new software
      • ...
    • changes
      • ...
  • easyconfigs
    • bug fixes
      • add missing xxd build dependency for recent PLUMED versions (2.6.2, 2.7.x) (PR #14847)
      • downgrade dependency on nodejs and use jupyter-server-proxy in jupyter-matlab-proxy and configurable-http-proxy (PR #14942)
      • patch for Clang-9.0.1-GCCcore (PR #15007)
      • fix GBprocesS easyconfig by switching to source tarball created using git_config (PR #15048)
      • fix installation of RDKit by using -DBoost_NO_BOOST_CMAKE=ON (PR #15051)
      • R-4.1.2-foss-2021b.eb install failing (issue #15005)
        • includes some suggested changes w.r.t. PROJ + NLopt that we should apply?
        • to be tested in (fat?) container image
      • PyTorch v1.10.0: replace assertions by highlight in JIT tests to simple regex matches (PR #15073)
    • enhancements
      • ...
    • new software
      • see https://github.com/easybuilders/easybuild-easyconfigs/labels/new
      • MPItrampoline-based toolchain (WIP) (PR #14607)
      • VisIt (PR #15109)
    • noteworthy software updates
      • RoseTTAFold v1.0.0 (PR #13795)
      • TensorFlow v2.7.1 (WIP) (PR #14990)
        • failing tests are for new features of TensorFlow
        • ignore these failing tests for now, report upstream
      • hipSYCL v0.9.2 (PR #15074)
      • FlexiBLAS v3.1.3 (PR #15093)
      • AlphaFold v2.2.0 (PR #15129)

Q&A

• ...