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pmx #491

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3 tasks done
boegel opened this issue Jan 14, 2025 · 1 comment · May be fixed by easybuilders/easybuild-easyconfigs#22158
Open
3 tasks done

pmx #491

boegel opened this issue Jan 14, 2025 · 1 comment · May be fixed by easybuilders/easybuild-easyconfigs#22158
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@PetrKralCZ
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difficulty: easy software that should be easy to support new new software priority: high Python site:t1_ugent_hortense Software installation request for Tier-1 Hortense site:ugent Software installation request for UGent Tier-2 sources-only Only sources available (no conda, binaries, container)

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@boegel
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boegel commented Jan 14, 2025

  • link to support ticket: #2025011460002561
  • website: https://degrootlab.github.io/pmx/
  • installation docs: https://degrootlab.github.io/pmx/installation.html
  • toolchain: foss/2023b
  • easyblock to use: PythonBundle
  • required dependencies:
    • numpy/scipy (ScIPy-bundle)
    • matplotlib
    • GROMACS (maybe, unclear)
  • notes:
    • use latest commit, not latest release (which is ancient)
  • effort: (TBD)
  • other install methods
    • conda: no
    • container image: no
    • pre-built binaries (RHEL8 Linux x86_64): no
    • easyconfig outside EasyBuild: no
@boegel boegel added difficulty: easy software that should be easy to support new new software priority: high Python site:ugent Software installation request for UGent Tier-2 site:t1_ugent_hortense Software installation request for Tier-1 Hortense sources-only Only sources available (no conda, binaries, container) labels Jan 14, 2025
@PetrKralCZ PetrKralCZ self-assigned this Jan 15, 2025
PetrKralCZ added a commit that referenced this issue Jan 15, 2025
@PetrKralCZ
progress on #491 pmx
1bba6bc
PetrKralCZ added a commit that referenced this issue Jan 15, 2025
@PetrKralCZ
progress on #491 pmx
541ffaa
@PetrKralCZ
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@PetrKralCZ PetrKralCZ linked a pull request Jan 15, 2025 that will close this issue
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@PetrKralCZ PetrKralCZ

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difficulty: easy software that should be easy to support new new software priority: high Python site:t1_ugent_hortense Software installation request for Tier-1 Hortense site:ugent Software installation request for UGent Tier-2 sources-only Only sources available (no conda, binaries, container)
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{bio}[foss/2023b] pmx v20241209 PetrKralCZ/easybuild-easyconfigs
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@boegel @PetrKralCZ