CP2K #297

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easybuilders/easybuild-easyconfigs

#20989

(+4)

Open

CP2K#297

easybuilders/easybuild-easyconfigs

#20989

(+4)

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difficulty: mediumsoftware that likely require a fair amount of effort to supportsoftware that likely require a fair amount of effort to supportpriority: mediumsite:t1_ugent_hortenseSoftware installation request for Tier-1 HortenseSoftware installation request for Tier-1 Hortensesite:ugentSoftware installation request for UGent Tier-2Software installation request for UGent Tier-2update

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laraPPr

opened on Feb 27, 2024

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• link to support ticket: #2024022760001074
• website: https://www.cp2k.org/
• installation docs: https://github.com/cp2k/cp2k/blob/master/INSTALL.md
• toolchain: ?
• easyblock to use: ``
• required dependencies:
  • SIRIUS
    • {lib}[foss/2023a] SIRIUS v7.5.2, Umpire v2024.02.1, COSTA v2.2.2, ... easybuilders/easybuild-easyconfigs#20989
  • Libint
  • libxc
  • libxsmm
  • libvori
  • FFTW
  • PLUMED
• optional dependencies:
  • ...
• notes:
  • ...
• effort: (TBD)
• other install methods
  • conda:
  • container image:
  • pre-built binaries (RHEL8 Linux x86_64):
  • easyconfig outside EasyBuild:

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  pavelToman

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difficulty: mediumsoftware that likely require a fair amount of effort to supportsoftware that likely require a fair amount of effort to supportpriority: mediumsite:t1_ugent_hortenseSoftware installation request for Tier-1 HortenseSoftware installation request for Tier-1 Hortensesite:ugentSoftware installation request for UGent Tier-2Software installation request for UGent Tier-2update

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