Octopus

[lexming]

• link to support ticket: INC0128527 (VUB)
• website: https://www.octopus-code.org
• installation docs: https://www.octopus-code.org/documentation/12/
• toolchain: foss/2022a
• easyblock to use: TBD
• required dependencies:
  • [ ] DFTB+
  • [ ] Simple-DFTD3
  • [ ] libmbd
  • [ ] ELSI
• notes:
  • https://github.com/easybuilders/easybuild-easyconfigs/pull/15167
  • https://github.com/easybuilders/easybuild-easyconfigs/pull/14229
• effort: high

[lexming]

PRs for DFTB+ and deps:

• https://github.com/easybuilders/easybuild-easyconfigs/pull/16760
• https://github.com/easybuilders/easybuild-easyconfigs/pull/16761
• https://github.com/easybuilders/easybuild-easyconfigs/pull/16762

[lexming]

WIP easyconfig: https://github.com/vscentrum/vsc-software-stack/blob/wip/56_Octopus/Octopus-12.1-foss-2022a.eb