pyWannier90

[laraPPr]

• link to support ticket: #2024092460001601
• website: https://github.com/hungpham2017/pyWannier90
• installation docs: https://github.com/hungpham2017/pyWannier90
• toolchain: foss/2023a
• easyblock to use: MakeCp
• required dependencies:
  • [ ] Python
  • [ ] SciPy-bundle
  • [ ] PySCF (See https://github.com/vscentrum/vsc-software-stack/issues/422)
• 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

[PetrKralCZ]

• https://github.com/easybuilders/easybuild-easyconfigs/pull/21831