T5: Computational environment

[RenskeW]

Metadata about the system on which the workflow was executed, comprising both software and hardware.

• ENV1 Software: Software (dependencies), operating system. Dependencies could comprise all installed software (might contain much redundant information if a step was not executed in a software container), or the dependencies of the software which is run (which may be difficult to identify). Should follow the requirements as described in T3.
• ENV2 Hardware: Available RAM, storage, number and type of CPUs/GPUs. Network access.
• ENV3 Container image: Image name, tag, and digest (because names and tags are not always stable). Additional metadata (extracted from image labels), contents of Dockerfile (if built from Dockerfile), and general requirements for software as described in T3.

[RenskeW]

What is represented in CWLProv RO Bundle in RDF:

• ENV3: Only the name, tag or digest via which the container image is pulled (with dockerPull), see Scenario 3.

If the image was built from a Dockerfile (using dockerFile), this information is preserved in packed.cwl.

[RenskeW]

Results of analysis of RO-Crates converted by runcrate from CWLProv RO Bundles:

• ro-crate-metadata.json does not include any information about software containers in which workflow steps were executed.
• packed.cwl still contains the name/tag or digest of the pulled image (if dockerPull), or the Dockerfile from which it was built (if dockerFile)

[RenskeW]

Suggested enhancement 1:

Include the name/tag or digest of the container image in ro-crate-metadata.json (if suitable Schema.org terms are available).

[simleo]

As of runcrate 0.5.0, the container image is converted.