Support for computing workflows

Public pilot

This is the landing page for the public pilot project connecting the NRP and e-INFRA.CZ computing environments. Please feel free to try out the solutions and components, and provide us with feedback. Thank you in advance.

Not all anticipated services and their combinations are currently supported. The document below, called Target Architecture, describes what we plan to support.

Workflow engines

• Galaxy - public pilot instance + documentation and sample workflow (with INVENIO testing repository)
• Lexis - public pilot instance + documentation and sample workflow (with dSpace pilot catch-all repository).

CLI based environments and Jupyter Notebooks

• nrp-cmd (Python based API/CLI to INVENIO)
  • examples
  • Jupyter notebook examples
• MetaCentrum docs (Grid, cloud, kubernetes, Jupyter notebooks, currently INVENIO only)
• ASEP/ARL API documentation, examples:
  • ASEP/ARL REST API examples
  • Downloading files examples
  • Uploading files examples

Target architecture

• Target arcitecture of connecting the NRP and e-INFRA.CZ computing environments

Reference case study

• Technical report
• Links to the GIT repositories
  • https://github.com/CERIT-SC/compchem-extension_workflows
  • https://github.com/CERIT-SC/compchem-fileprocessor
  • https://github.com/sb-ncbr/gromacs-metadump
  • https://github.com/sb-ncbr/time-lapse_imaging_workflow