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iodata #446

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3 tasks
laraPPr opened this issue Oct 25, 2024 · 1 comment · May be fixed by easybuilders/easybuild-easyconfigs#21811
Open
3 tasks

iodata #446

laraPPr opened this issue Oct 25, 2024 · 1 comment · May be fixed by easybuilders/easybuild-easyconfigs#21811
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@PetrKralCZ
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difficulty: easy software that should be easy to support easyconfig Easyconfig is available priority: low Python site:t1_ugent_hortense Software installation request for Tier-1 Hortense site:ugent Software installation request for UGent Tier-2 update

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@laraPPr
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laraPPr commented Oct 25, 2024 •
edited by boegel
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  • link to support ticket: #2024102160001355
  • website: https://github.com/theochem/iodata
  • installation docs: https://iodata.qcdevs.org/install.html
  • toolchain: foss/2023a
  • easyblock to use: PythonPackage
  • required dependencies:
    • Python
    • SciPy-bundle
  • optional dependencies:
    • ...
  • notes:
    • ...
  • effort: (TBD)
  • other install methods
    • conda: yes (link?) / no
    • container image: yes (link?) / no
    • pre-built binaries (RHEL8 Linux x86_64): yes (link?) / no
    • easyconfig outside EasyBuild: yes / no
@laraPPr laraPPr added difficulty: easy software that should be easy to support priority: low Python update site:ugent Software installation request for UGent Tier-2 site:t1_ugent_hortense Software installation request for Tier-1 Hortense easyconfig Easyconfig is available labels Oct 25, 2024
@PetrKralCZ PetrKralCZ self-assigned this Nov 8, 2024
PetrKralCZ added a commit that referenced this issue Nov 8, 2024
@PetrKralCZ
progress on #446 iodata
b2ea5e9
@PetrKralCZ
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@PetrKralCZ PetrKralCZ linked a pull request Nov 8, 2024 that will close this issue
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difficulty: easy software that should be easy to support easyconfig Easyconfig is available priority: low Python site:t1_ugent_hortense Software installation request for Tier-1 Hortense site:ugent Software installation request for UGent Tier-2 update
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{chem}[foss/2023a] iodata v1.0.0a5 PetrKralCZ/easybuild-easyconfigs
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@PetrKralCZ @laraPPr