Structured Representations

We provide below examples of JSON-based structured representation for an application, and for each of its possible components (executables and flavors) and classification categories. This structured representation is based upon the Exabyte Data Convention implemented throughout our platform.

Work in progress

Some applications are yet to be fully integrated into our platform to have a structured representation. These are only available via Command Line Interface.

Application

SchemaExample

{
    "$id": "software/application",
    "$schema": "http://json-schema.org/draft-07/schema#",
    "title": "application schema (base)",
    "type": "object",
    "allOf": [
        {
            "$ref": "../in_memory_entity/named_defaultable.json"
        }
    ],
    "properties": {
        "shortName": {
            "description": "The short name of the application. e.g. qe",
            "type": "string"
        },
        "summary": {
            "description": "Application's short description.",
            "type": "string"
        },
        "version": {
            "description": "Application version. e.g. 5.3.5",
            "type": "string"
        },
        "build": {
            "description": "Application build. e.g. VTST",
            "type": "string"
        },
        "hasAdvancedComputeOptions": {
            "description": "Whether advanced compute options are present",
            "type": "boolean"
        },
        "isLicensed": {
            "description": "Whether licensing is present",
            "type": "boolean"
        }
    },
    "additionalProperties": true
}

{
    "name": "espresso",
    "shortName": "qe",
    "summary": "Quantum Espresso",
    "version": "5.1.1",
    "hasAdvancedComputeOptions": true
}

Executable

SchemaExample

{
    "$id": "software/executable",
    "$schema": "http://json-schema.org/draft-07/schema#",
    "title": "executable schema",
    "type": "object",
    "allOf": [
        {
            "$ref": "../in_memory_entity/named_defaultable_runtime_items.json"
        }
    ],
    "properties": {
        "name": {
            "description": "The name of the executable. e.g. pw.x",
            "type": "string"
        },
        "applicationId": {
            "description": "_ids of the application this executable belongs to",
            "type": "array",
            "items": {
                "type": "string"
            }
        },
        "hasAdvancedComputeOptions": {
            "description": "Whether advanced compute options are present",
            "type": "boolean"
        }
    },
    "required": [
        "name"
    ]
}

{
    "advancedComputeOptions": true,
    "applicationId": [
        "eaJepm4AWfqpaCw59"
    ],
    "isDefault": true,
    "monitors": [
        {
            "name": "standard_output"
        }
    ],
    "name": "pw.x",
    "postProcessors": [],
    "preProcessors": [],
    "results": [
        {
            "name": "atomic_forces"
        }
    ]
}

Flavor

SchemaExample

{
    "$id": "software/flavor",
    "$schema": "http://json-schema.org/draft-07/schema#",
    "title": "flavor schema",
    "type": "object",
    "allOf": [
        {
            "$ref": "../in_memory_entity/named_defaultable_runtime_items.json"
        }
    ],
    "properties": {
        "executableId": {
            "description": "_id of the executable this flavor belongs to",
            "type": "string"
        },
        "executableName": {
            "description": "name of the executable this flavor belongs to",
            "type": "string"
        },
        "applicationName": {
            "description": "name of the application this flavor belongs to",
            "type": "string"
        },
        "input": {
            "title": "execution unit input schema",
            "type": "array",
            "items": {
                "$ref": "../workflow/unit/input/_inputItemId.json"
            }
        }
    }
}

{
    "executableId": "4987JFJ3kKbwvFSG7",
    "input": [
        {
            "templateId": "dJ7HYz5pQ4AuN5qc9"
        }
    ],
    "name": "pw_scf"
}