Record the software (and its version) that created the data #126

In the JOSS review of svgdigitizer (echemdb/svgdigitizer#309) it was pointed out that the datapackages created by svgdigitizer do not record which version of svgdigitizer produced them. The sampling step can change between versions, so this provenance information is lost once a datapackage is curated into echemdb.

svgdigitizer should write this information into metadata.echemdb. However, the schema currently has no place for it (SvgdigitizerEchemdbMetadata and FigureDescription do not allow additional properties, and Curation only describes persons).

Proposal

Add an optional software attribute to FigureDescription, describing the software that created the data in the figure description, e.g., digitized it, simulated it, or processed it.

  Software:
    description: Software used to create the data.
    attributes:
      name:
        range: string
        required: true
        description: Name of the software.
        examples:
          - value: "svgdigitizer"
      version:
        range: string
        required: true
        description: Version of the software.
        examples:
          - value: "0.14.5"
      url:
        range: HttpUrl
        description: URL of the software, e.g., its repository.
        examples:
          - value: "https://github.com/echemdb/svgdigitizer"

svgdigitizer would then write

"figureDescription": {
    "type": "digitized",
    "software": {
        "name": "svgdigitizer",
        "version": "0.14.5"
    },
    ...
}

Since FigureDescription is shared by all package schemas, this would be available for svgdigitizer and full echemdb packages alike.

Alternatives: a top-level software attribute in the echemdb metadata, or a list of software (in case the data was processed by several tools).