BindCraft

[laraPPr]

• link to support ticket: #2024100360001844 + #2024103060000473
• website: https://github.com/martinpacesa/BindCraft
• installation docs: https://github.com/martinpacesa/BindCraft?tab=readme-ov-file#installation
• toolchain: Conda? or PythonPackage
• easyblock to use: foss/2023a
• required dependencies:
  • [ ] pandas
  • [ ] numpy
  • [ ] biopython
  • [ ] scipy
  • [ ] pdbfixer
  • [ ] seaborn
  • [ ] tqdm
  • [ ] jupyter
  • [ ] ffmpeg
• optional dependencies:
  • [ ] ...
• notes:
  • The installation only mentions conda as a package manager but maybe the installscript also works with pip
• 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/21791

[boegel]

@PetrKralCZ PR merged, ready for cleanup