@mat3ra/esse 2024.3.22-0 → 2024.3.25-0

package/dist/js/schema/software_directory/modeling/unit/execution.json

@@ -1,847 +0,0 @@
-{
-    "$id": "software-directory/modeling/unit/execution",
-    "$schema": "http://json-schema.org/draft-07/schema#",
-    "title": "execution unit schema for physics-based simulation engines (defined using espresso as example)",
-    "type": "object",
-    "required": [
-        "application",
-        "flowchartId",
-        "input",
-        "type"
-    ],
-    "additionalProperties": true,
-    "properties": {
-        "type": {
-            "enum": [
-                "execution"
-            ],
-            "description": "type of the unit",
-            "type": "string"
-        },
-        "application": {
-            "$schema": "http://json-schema.org/draft-07/schema#",
-            "title": "application schema (base)",
-            "type": "object",
-            "additionalProperties": true,
-            "properties": {
-                "shortName": {
-                    "description": "The short name of the application. e.g. qe",
-                    "type": "string"
-                },
-                "summary": {
-                    "description": "Application's short description.",
-                    "type": "string"
-                },
-                "version": {
-                    "description": "Application version. e.g. 5.3.5",
-                    "type": "string"
-                },
-                "build": {
-                    "description": "Application build. e.g. VTST",
-                    "type": "string"
-                },
-                "hasAdvancedComputeOptions": {
-                    "description": "Whether advanced compute options are present",
-                    "type": "boolean"
-                },
-                "isLicensed": {
-                    "description": "Whether licensing is present",
-                    "type": "boolean"
-                },
-                "_id": {
-                    "description": "entity identity",
-                    "type": "string"
-                },
-                "slug": {
-                    "description": "entity slug",
-                    "type": "string"
-                },
-                "systemName": {
-                    "type": "string"
-                },
-                "consistencyChecks": {
-                    "type": "array",
-                    "items": {
-                        "$schema": "http://json-schema.org/draft-07/schema#",
-                        "title": "consistency check",
-                        "type": "object",
-                        "description": "The output of consistency checks performed on data adhering to JSON schema, but inconsistent with scientific or logical rules, to show problems in UI.",
-                        "required": [
-                            "key",
-                            "name",
-                            "severity",
-                            "message"
-                        ],
-                        "properties": {
-                            "key": {
-                                "type": "string",
-                                "description": "Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'"
-                            },
-                            "name": {
-                                "enum": [
-                                    "default",
-                                    "atomsTooClose",
-                                    "atomsOverlap"
-                                ],
-                                "description": "Name of the consistency check that is performed, which is listed in an enum."
-                            },
-                            "severity": {
-                                "enum": [
-                                    "info",
-                                    "warning",
-                                    "error"
-                                ],
-                                "description": "Severity level of the problem, which is used in UI to differentiate."
-                            },
-                            "message": {
-                                "type": "string",
-                                "description": "Message generated by the consistency check describing the problem."
-                            }
-                        }
-                    }
-                },
-                "schemaVersion": {
-                    "description": "entity's schema version. Used to distinct between different schemas.",
-                    "type": "string",
-                    "default": "2022.8.16"
-                },
-                "name": {
-                    "description": "entity name",
-                    "type": "string"
-                },
-                "isDefault": {
-                    "description": "Identifies that entity is defaultable",
-                    "type": "boolean",
-                    "default": false
-                }
-            }
-        },
-        "executable": {
-            "$schema": "http://json-schema.org/draft-07/schema#",
-            "title": "executable schema",
-            "type": "object",
-            "required": [
-                "name"
-            ],
-            "properties": {
-                "name": {
-                    "description": "The name of the executable. e.g. pw.x",
-                    "type": "string"
-                },
-                "applicationId": {
-                    "description": "_ids of the application this executable belongs to",
-                    "type": "array",
-                    "items": {
-                        "type": "string"
-                    }
-                },
-                "hasAdvancedComputeOptions": {
-                    "description": "Whether advanced compute options are present",
-                    "type": "boolean"
-                },
-                "_id": {
-                    "description": "entity identity",
-                    "type": "string"
-                },
-                "slug": {
-                    "description": "entity slug",
-                    "type": "string"
-                },
-                "systemName": {
-                    "type": "string"
-                },
-                "consistencyChecks": {
-                    "type": "array",
-                    "items": {
-                        "$schema": "http://json-schema.org/draft-07/schema#",
-                        "title": "consistency check",
-                        "type": "object",
-                        "description": "The output of consistency checks performed on data adhering to JSON schema, but inconsistent with scientific or logical rules, to show problems in UI.",
-                        "required": [
-                            "key",
-                            "name",
-                            "severity",
-                            "message"
-                        ],
-                        "properties": {
-                            "key": {
-                                "type": "string",
-                                "description": "Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'"
-                            },
-                            "name": {
-                                "enum": [
-                                    "default",
-                                    "atomsTooClose",
-                                    "atomsOverlap"
-                                ],
-                                "description": "Name of the consistency check that is performed, which is listed in an enum."
-                            },
-                            "severity": {
-                                "enum": [
-                                    "info",
-                                    "warning",
-                                    "error"
-                                ],
-                                "description": "Severity level of the problem, which is used in UI to differentiate."
-                            },
-                            "message": {
-                                "type": "string",
-                                "description": "Message generated by the consistency check describing the problem."
-                            }
-                        }
-                    }
-                },
-                "schemaVersion": {
-                    "description": "entity's schema version. Used to distinct between different schemas.",
-                    "type": "string",
-                    "default": "2022.8.16"
-                },
-                "isDefault": {
-                    "description": "Identifies that entity is defaultable",
-                    "type": "boolean",
-                    "default": false
-                },
-                "preProcessors": {
-                    "description": "names of the pre-processors for this calculation",
-                    "type": "array",
-                    "items": {
-                        "$schema": "http://json-schema.org/draft-07/schema#",
-                        "title": "runtime item schema",
-                        "oneOf": [
-                            {
-                                "$schema": "http://json-schema.org/draft-07/schema#",
-                                "title": "name result schema",
-                                "type": "object",
-                                "properties": {
-                                    "name": {
-                                        "description": "The name of this item. e.g. scf_accuracy",
-                                        "type": "string"
-                                    }
-                                },
-                                "required": [
-                                    "name"
-                                ]
-                            },
-                            {
-                                "$schema": "http://json-schema.org/draft-07/schema#",
-                                "title": "RuntimeItemString",
-                                "description": "name of runtime item in shortened notation",
-                                "type": "string"
-                            }
-                        ]
-                    }
-                },
-                "postProcessors": {
-                    "description": "names of the post-processors for this calculation",
-                    "type": "array",
-                    "items": {
-                        "$schema": "http://json-schema.org/draft-07/schema#",
-                        "title": "runtime item schema",
-                        "oneOf": [
-                            {
-                                "$schema": "http://json-schema.org/draft-07/schema#",
-                                "title": "name result schema",
-                                "type": "object",
-                                "properties": {
-                                    "name": {
-                                        "description": "The name of this item. e.g. scf_accuracy",
-                                        "type": "string"
-                                    }
-                                },
-                                "required": [
-                                    "name"
-                                ]
-                            },
-                            {
-                                "$schema": "http://json-schema.org/draft-07/schema#",
-                                "title": "RuntimeItemString",
-                                "description": "name of runtime item in shortened notation",
-                                "type": "string"
-                            }
-                        ]
-                    }
-                },
-                "monitors": {
-                    "description": "names of the monitors for this calculation",
-                    "type": "array",
-                    "items": {
-                        "$schema": "http://json-schema.org/draft-07/schema#",
-                        "title": "runtime item schema",
-                        "oneOf": [
-                            {
-                                "$schema": "http://json-schema.org/draft-07/schema#",
-                                "title": "name result schema",
-                                "type": "object",
-                                "properties": {
-                                    "name": {
-                                        "description": "The name of this item. e.g. scf_accuracy",
-                                        "type": "string"
-                                    }
-                                },
-                                "required": [
-                                    "name"
-                                ]
-                            },
-                            {
-                                "$schema": "http://json-schema.org/draft-07/schema#",
-                                "title": "RuntimeItemString",
-                                "description": "name of runtime item in shortened notation",
-                                "type": "string"
-                            }
-                        ]
-                    }
-                },
-                "results": {
-                    "description": "names of the results for this calculation",
-                    "type": "array",
-                    "items": {
-                        "$schema": "http://json-schema.org/draft-07/schema#",
-                        "title": "runtime item schema",
-                        "oneOf": [
-                            {
-                                "$schema": "http://json-schema.org/draft-07/schema#",
-                                "title": "name result schema",
-                                "type": "object",
-                                "properties": {
-                                    "name": {
-                                        "description": "The name of this item. e.g. scf_accuracy",
-                                        "type": "string"
-                                    }
-                                },
-                                "required": [
-                                    "name"
-                                ]
-                            },
-                            {
-                                "$schema": "http://json-schema.org/draft-07/schema#",
-                                "title": "RuntimeItemString",
-                                "description": "name of runtime item in shortened notation",
-                                "type": "string"
-                            }
-                        ]
-                    }
-                }
-            }
-        },
-        "flavor": {
-            "$schema": "http://json-schema.org/draft-07/schema#",
-            "title": "flavor schema",
-            "type": "object",
-            "properties": {
-                "executableId": {
-                    "description": "_id of the executable this flavor belongs to",
-                    "type": "string"
-                },
-                "executableName": {
-                    "description": "name of the executable this flavor belongs to",
-                    "type": "string"
-                },
-                "applicationName": {
-                    "description": "name of the application this flavor belongs to",
-                    "type": "string"
-                },
-                "input": {
-                    "title": "execution unit input schema",
-                    "type": "array",
-                    "items": {
-                        "$schema": "http://json-schema.org/draft-07/schema#",
-                        "title": "execution unit input id item schema for physics-based simulation engines",
-                        "type": "object",
-                        "additionalProperties": false,
-                        "properties": {
-                            "templateId": {
-                                "type": "string"
-                            },
-                            "templateName": {
-                                "type": "string"
-                            },
-                            "name": {
-                                "description": "name of the resulting input file, if different than template name",
-                                "type": "string"
-                            }
-                        }
-                    }
-                },
-                "_id": {
-                    "description": "entity identity",
-                    "type": "string"
-                },
-                "slug": {
-                    "description": "entity slug",
-                    "type": "string"
-                },
-                "systemName": {
-                    "type": "string"
-                },
-                "consistencyChecks": {
-                    "type": "array",
-                    "items": {
-                        "$schema": "http://json-schema.org/draft-07/schema#",
-                        "title": "consistency check",
-                        "type": "object",
-                        "description": "The output of consistency checks performed on data adhering to JSON schema, but inconsistent with scientific or logical rules, to show problems in UI.",
-                        "required": [
-                            "key",
-                            "name",
-                            "severity",
-                            "message"
-                        ],
-                        "properties": {
-                            "key": {
-                                "type": "string",
-                                "description": "Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'"
-                            },
-                            "name": {
-                                "enum": [
-                                    "default",
-                                    "atomsTooClose",
-                                    "atomsOverlap"
-                                ],
-                                "description": "Name of the consistency check that is performed, which is listed in an enum."
-                            },
-                            "severity": {
-                                "enum": [
-                                    "info",
-                                    "warning",
-                                    "error"
-                                ],
-                                "description": "Severity level of the problem, which is used in UI to differentiate."
-                            },
-                            "message": {
-                                "type": "string",
-                                "description": "Message generated by the consistency check describing the problem."
-                            }
-                        }
-                    }
-                },
-                "schemaVersion": {
-                    "description": "entity's schema version. Used to distinct between different schemas.",
-                    "type": "string",
-                    "default": "2022.8.16"
-                },
-                "name": {
-                    "description": "entity name",
-                    "type": "string"
-                },
-                "isDefault": {
-                    "description": "Identifies that entity is defaultable",
-                    "type": "boolean",
-                    "default": false
-                },
-                "preProcessors": {
-                    "description": "names of the pre-processors for this calculation",
-                    "type": "array",
-                    "items": {
-                        "$schema": "http://json-schema.org/draft-07/schema#",
-                        "title": "runtime item schema",
-                        "oneOf": [
-                            {
-                                "$schema": "http://json-schema.org/draft-07/schema#",
-                                "title": "name result schema",
-                                "type": "object",
-                                "properties": {
-                                    "name": {
-                                        "description": "The name of this item. e.g. scf_accuracy",
-                                        "type": "string"
-                                    }
-                                },
-                                "required": [
-                                    "name"
-                                ]
-                            },
-                            {
-                                "$schema": "http://json-schema.org/draft-07/schema#",
-                                "title": "RuntimeItemString",
-                                "description": "name of runtime item in shortened notation",
-                                "type": "string"
-                            }
-                        ]
-                    }
-                },
-                "postProcessors": {
-                    "description": "names of the post-processors for this calculation",
-                    "type": "array",
-                    "items": {
-                        "$schema": "http://json-schema.org/draft-07/schema#",
-                        "title": "runtime item schema",
-                        "oneOf": [
-                            {
-                                "$schema": "http://json-schema.org/draft-07/schema#",
-                                "title": "name result schema",
-                                "type": "object",
-                                "properties": {
-                                    "name": {
-                                        "description": "The name of this item. e.g. scf_accuracy",
-                                        "type": "string"
-                                    }
-                                },
-                                "required": [
-                                    "name"
-                                ]
-                            },
-                            {
-                                "$schema": "http://json-schema.org/draft-07/schema#",
-                                "title": "RuntimeItemString",
-                                "description": "name of runtime item in shortened notation",
-                                "type": "string"
-                            }
-                        ]
-                    }
-                },
-                "monitors": {
-                    "description": "names of the monitors for this calculation",
-                    "type": "array",
-                    "items": {
-                        "$schema": "http://json-schema.org/draft-07/schema#",
-                        "title": "runtime item schema",
-                        "oneOf": [
-                            {
-                                "$schema": "http://json-schema.org/draft-07/schema#",
-                                "title": "name result schema",
-                                "type": "object",
-                                "properties": {
-                                    "name": {
-                                        "description": "The name of this item. e.g. scf_accuracy",
-                                        "type": "string"
-                                    }
-                                },
-                                "required": [
-                                    "name"
-                                ]
-                            },
-                            {
-                                "$schema": "http://json-schema.org/draft-07/schema#",
-                                "title": "RuntimeItemString",
-                                "description": "name of runtime item in shortened notation",
-                                "type": "string"
-                            }
-                        ]
-                    }
-                },
-                "results": {
-                    "description": "names of the results for this calculation",
-                    "type": "array",
-                    "items": {
-                        "$schema": "http://json-schema.org/draft-07/schema#",
-                        "title": "runtime item schema",
-                        "oneOf": [
-                            {
-                                "$schema": "http://json-schema.org/draft-07/schema#",
-                                "title": "name result schema",
-                                "type": "object",
-                                "properties": {
-                                    "name": {
-                                        "description": "The name of this item. e.g. scf_accuracy",
-                                        "type": "string"
-                                    }
-                                },
-                                "required": [
-                                    "name"
-                                ]
-                            },
-                            {
-                                "$schema": "http://json-schema.org/draft-07/schema#",
-                                "title": "RuntimeItemString",
-                                "description": "name of runtime item in shortened notation",
-                                "type": "string"
-                            }
-                        ]
-                    }
-                }
-            }
-        },
-        "input": {
-            "description": "unit input (type to be specified by the application's execution unit)",
-            "title": "execution unit input schema",
-            "type": "array",
-            "items": {
-                "oneOf": [
-                    {
-                        "$schema": "http://json-schema.org/draft-07/schema#",
-                        "title": "execution unit input item schema for physics-based simulation engines",
-                        "type": "object",
-                        "properties": {
-                            "name": {
-                                "description": "Input file name. e.g. pw_scf.in",
-                                "type": "string"
-                            },
-                            "content": {
-                                "description": "Content of the input file. e.g. &CONTROL    calculation='scf' ...",
-                                "type": "string"
-                            }
-                        },
-                        "required": [
-                            "name",
-                            "content"
-                        ]
-                    },
-                    {
-                        "$schema": "http://json-schema.org/draft-07/schema#",
-                        "title": "execution unit input id item schema for physics-based simulation engines",
-                        "type": "object",
-                        "properties": {
-                            "templateId": {
-                                "type": "string"
-                            },
-                            "templateName": {
-                                "type": "string"
-                            },
-                            "name": {
-                                "description": "name of the resulting input file, if different than template name",
-                                "type": "string"
-                            }
-                        },
-                        "additionalProperties": false
-                    }
-                ]
-            }
-        },
-        "_id": {
-            "type": "string",
-            "description": "entity identity"
-        },
-        "isDraft": {
-            "type": "boolean"
-        },
-        "name": {
-            "description": "name of the unit. e.g. pw_scf",
-            "type": "string"
-        },
-        "status": {
-            "description": "Status of the unit.",
-            "type": "string",
-            "enum": [
-                "idle",
-                "active",
-                "warning",
-                "error",
-                "finished"
-            ]
-        },
-        "head": {
-            "description": "Whether this unit is the first one to be executed.",
-            "type": "boolean"
-        },
-        "flowchartId": {
-            "description": "Identity of the unit in the workflow. Used to trace the execution flow of the workflow.",
-            "type": "string"
-        },
-        "next": {
-            "description": "Next unit's flowchartId. If empty, the current unit is the last.",
-            "type": "string"
-        },
-        "enableRender": {
-            "description": "Whether Rupy should attempt to use Jinja templating to add context variables into the unit",
-            "type": "boolean"
-        },
-        "context": {
-            "type": "object"
-        },
-        "slug": {
-            "description": "entity slug",
-            "type": "string"
-        },
-        "systemName": {
-            "type": "string"
-        },
-        "consistencyChecks": {
-            "type": "array",
-            "items": {
-                "$schema": "http://json-schema.org/draft-07/schema#",
-                "title": "consistency check",
-                "type": "object",
-                "description": "The output of consistency checks performed on data adhering to JSON schema, but inconsistent with scientific or logical rules, to show problems in UI.",
-                "required": [
-                    "key",
-                    "name",
-                    "severity",
-                    "message"
-                ],
-                "properties": {
-                    "key": {
-                        "type": "string",
-                        "description": "Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'"
-                    },
-                    "name": {
-                        "enum": [
-                            "default",
-                            "atomsTooClose",
-                            "atomsOverlap"
-                        ],
-                        "description": "Name of the consistency check that is performed, which is listed in an enum."
-                    },
-                    "severity": {
-                        "enum": [
-                            "info",
-                            "warning",
-                            "error"
-                        ],
-                        "description": "Severity level of the problem, which is used in UI to differentiate."
-                    },
-                    "message": {
-                        "type": "string",
-                        "description": "Message generated by the consistency check describing the problem."
-                    }
-                }
-            }
-        },
-        "schemaVersion": {
-            "description": "entity's schema version. Used to distinct between different schemas.",
-            "type": "string",
-            "default": "2022.8.16"
-        },
-        "isDefault": {
-            "description": "Identifies that entity is defaultable",
-            "type": "boolean",
-            "default": false
-        },
-        "preProcessors": {
-            "description": "names of the pre-processors for this calculation",
-            "type": "array",
-            "items": {
-                "$schema": "http://json-schema.org/draft-07/schema#",
-                "title": "runtime item schema",
-                "oneOf": [
-                    {
-                        "$schema": "http://json-schema.org/draft-07/schema#",
-                        "title": "name result schema",
-                        "type": "object",
-                        "properties": {
-                            "name": {
-                                "description": "The name of this item. e.g. scf_accuracy",
-                                "type": "string"
-                            }
-                        },
-                        "required": [
-                            "name"
-                        ]
-                    },
-                    {
-                        "$schema": "http://json-schema.org/draft-07/schema#",
-                        "title": "RuntimeItemString",
-                        "description": "name of runtime item in shortened notation",
-                        "type": "string"
-                    }
-                ]
-            }
-        },
-        "postProcessors": {
-            "description": "names of the post-processors for this calculation",
-            "type": "array",
-            "items": {
-                "$schema": "http://json-schema.org/draft-07/schema#",
-                "title": "runtime item schema",
-                "oneOf": [
-                    {
-                        "$schema": "http://json-schema.org/draft-07/schema#",
-                        "title": "name result schema",
-                        "type": "object",
-                        "properties": {
-                            "name": {
-                                "description": "The name of this item. e.g. scf_accuracy",
-                                "type": "string"
-                            }
-                        },
-                        "required": [
-                            "name"
-                        ]
-                    },
-                    {
-                        "$schema": "http://json-schema.org/draft-07/schema#",
-                        "title": "RuntimeItemString",
-                        "description": "name of runtime item in shortened notation",
-                        "type": "string"
-                    }
-                ]
-            }
-        },
-        "monitors": {
-            "description": "names of the monitors for this calculation",
-            "type": "array",
-            "items": {
-                "$schema": "http://json-schema.org/draft-07/schema#",
-                "title": "runtime item schema",
-                "oneOf": [
-                    {
-                        "$schema": "http://json-schema.org/draft-07/schema#",
-                        "title": "name result schema",
-                        "type": "object",
-                        "properties": {
-                            "name": {
-                                "description": "The name of this item. e.g. scf_accuracy",
-                                "type": "string"
-                            }
-                        },
-                        "required": [
-                            "name"
-                        ]
-                    },
-                    {
-                        "$schema": "http://json-schema.org/draft-07/schema#",
-                        "title": "RuntimeItemString",
-                        "description": "name of runtime item in shortened notation",
-                        "type": "string"
-                    }
-                ]
-            }
-        },
-        "results": {
-            "description": "names of the results for this calculation",
-            "type": "array",
-            "items": {
-                "$schema": "http://json-schema.org/draft-07/schema#",
-                "title": "runtime item schema",
-                "oneOf": [
-                    {
-                        "$schema": "http://json-schema.org/draft-07/schema#",
-                        "title": "name result schema",
-                        "type": "object",
-                        "properties": {
-                            "name": {
-                                "description": "The name of this item. e.g. scf_accuracy",
-                                "type": "string"
-                            }
-                        },
-                        "required": [
-                            "name"
-                        ]
-                    },
-                    {
-                        "$schema": "http://json-schema.org/draft-07/schema#",
-                        "title": "RuntimeItemString",
-                        "description": "name of runtime item in shortened notation",
-                        "type": "string"
-                    }
-                ]
-            }
-        },
-        "tags": {
-            "description": "entity tags",
-            "type": "array",
-            "items": {
-                "type": "string"
-            }
-        },
-        "statusTrack": {
-            "type": "array",
-            "items": {
-                "type": "object",
-                "required": [
-                    "trackedAt",
-                    "status"
-                ],
-                "properties": {
-                    "trackedAt": {
-                        "type": "number"
-                    },
-                    "status": {
-                        "type": "string"
-                    },
-                    "repetition": {
-                        "type": "number"
-                    }
-                }
-            }
-        }
-    }
-}