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Brainstorm meeting (Oct 9th 2020)

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Bob Dröge edited this page Oct 12, 2020 · 2 revisions

Attending

  • Victor Holanda Rusu (CSCS)
  • Kenneth Hoste (HPC-UGent)
  • Terje Kvernes (UiO)
  • Maxim Masterov (SURF)
  • Alan O'Cais (JSC)
  • Caspar van Leeuwen (SURF)
  • Peter Stol (VU)
  • Bob Dröge (RUG)

Notes

(by Kenneth)

  • format?
    • Python (like .eb)
    • YAML (like .yml)
      • JSON
      • TOML
  • what should spec file include?
    • EasyBuild version?
    • list of easyconfigs (wildcards)
    • "requirements": gpu-only, not on aarch64, ...
    • additional EasyBuild configuration options
      • --from-pr
  • build script
    • processes spec file
    • filters, figures out what to build
    • resolves deps
    • installs stuff one by one (don't use --robot)
      • gives the option to tweak specific installations

Proposal

Usage

eb eessi-2020.10.yml

eb --spec eessi@2020.10
  • also support filtering on software name?

eessi-2020.09.yml

$ eb eessi-2020.09.yml --labels='arch:aarch64;system:gpu,ib;os:rhel8;cluster:lisa'

eessi-2020.09:
  easybuild_version: 4.3.0
  robot: True
  software:
    Bioconductor:
      toolchains:
        foss-2020a:
          versions:
            3.11:
              versionsuffix: '-R-4.0.0'
              exclude-when: arch:aarch64
    EasyBuild:
      toolchains:
        SYSTEM:
          versions: [4.3.1]
    GROMACS:
      toolchains:
        foss-2020a:
          exclude-labels: system:gpu
          versions:
            2020.1:
            2020.3:
              from_pr: 1234
        fosscuda-2020a:
          include-labels: system:gpu
          versions: [2020.1]
    OpenFOAM:
      toolchains:
        foss-2020a:
          versions: [8, v2006]
    R:
      toolchains:
        foss-2020a:
          versions: [4.0.0]

If this file becomes too big, we can split it up in multiple files:

$ eb eessi-2020.09.yml eessi-2020.09-gromacs.yml --labels='arch:aarch64;system:gpu,ib;os:rhel8;cluster:lisa'

Other use case: Rebuild stuff with new EB release

Stuff to rebuild with EasyBuild v4.3.1:

$ eb eb-4.3.1-rebuild.yml --trace

$ eb eb-4.3.1-rebuild.yml --dryrun
* R
  eb_args: --rebuild --robot --skip

eb-4.3.2-rebuild:
  easybuild_version: 4.3.2
  confirmation_needed: True
  rebuild-if-exists: True
  robot: True
  software:
    impi:
      toolchains:
        iccifort-2020.1.217:
           versions:
             2019.7.217:
              # fix module file for impi v2019.7.217
              module_only: True
    R:
      toolchains:
        foss-2020a:
          versions:
            4.0.0:
              # install additional extensions for R v4.0.0
              skip: True
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