@mat3ra/esse 2026.2.27-0 → 2026.3.7-0

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (48) hide show
  1. package/dist/js/schema/in_memory_entity/named_defaultable_runtime_items.json +4 -0
  2. package/dist/js/schema/job.json +120 -18
  3. package/dist/js/schema/properties_directory/non_scalar/workflow.json +120 -18
  4. package/dist/js/schema/property/holder.json +120 -18
  5. package/dist/js/schema/software/application/build_config.json +39 -0
  6. package/dist/js/schema/software/application.json +5 -6
  7. package/dist/js/schema/software/application_with_build_config.json +95 -0
  8. package/dist/js/schema/software/executable.json +4 -0
  9. package/dist/js/schema/software/flavor.json +4 -0
  10. package/dist/js/schema/software/template.json +1 -0
  11. package/dist/js/schema/software_directory/modeling/deepmd.json +5 -6
  12. package/dist/js/schema/software_directory/modeling/nwchem.json +5 -6
  13. package/dist/js/schema/software_directory/modeling/unit/execution.json +17 -6
  14. package/dist/js/schema/software_directory/modeling/vasp.json +5 -6
  15. package/dist/js/schema/software_directory/scripting/jupyter_lab.json +5 -6
  16. package/dist/js/schema/software_directory/scripting/python.json +5 -6
  17. package/dist/js/schema/software_directory/scripting/shell.json +5 -6
  18. package/dist/js/schema/software_directory/scripting/unit/execution.json +17 -6
  19. package/dist/js/schema/workflow/base.json +21 -0
  20. package/dist/js/schema/workflow/subworkflow/unit.json +41 -6
  21. package/dist/js/schema/workflow/subworkflow.json +50 -12
  22. package/dist/js/schema/workflow/unit/assertion.json +4 -0
  23. package/dist/js/schema/workflow/unit/assignment.json +4 -0
  24. package/dist/js/schema/workflow/unit/base.json +4 -0
  25. package/dist/js/schema/workflow/unit/condition.json +4 -0
  26. package/dist/js/schema/workflow/unit/execution.json +17 -6
  27. package/dist/js/schema/workflow/unit/io.json +4 -0
  28. package/dist/js/schema/workflow/unit/map.json +4 -0
  29. package/dist/js/schema/workflow/unit/processing.json +4 -0
  30. package/dist/js/schema/workflow/unit/reduce.json +4 -0
  31. package/dist/js/schema/workflow/unit/runtime/_runtime_item_name_object.json +1 -0
  32. package/dist/js/schema/workflow/unit/runtime/runtime_item.json +1 -0
  33. package/dist/js/schema/workflow/unit/runtime/runtime_items.json +4 -0
  34. package/dist/js/schema/workflow/unit/subworkflow.json +4 -0
  35. package/dist/js/schema/workflow/unit.json +49 -6
  36. package/dist/js/schema/workflow.json +120 -18
  37. package/dist/js/schemas.json +1 -1
  38. package/dist/js/types.d.ts +842 -127
  39. package/dist/js/utils/ajv.d.ts +4 -2
  40. package/dist/js/utils/ajv.js +22 -7
  41. package/package.json +2 -2
  42. package/schema/software/application/build_config.json +39 -0
  43. package/schema/software/application.json +5 -2
  44. package/schema/software/application_with_build_config.json +18 -0
  45. package/schema/workflow/base.json +21 -0
  46. package/schema/workflow/subworkflow.json +4 -0
  47. package/schema/workflow/unit/runtime/_runtime_item_name_object.json +1 -0
  48. package/src/js/utils/ajv.ts +27 -7
package/dist/js/schema/job.json CHANGED
@@ -277,6 +277,7 @@
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  "type": "string"
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  }
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  },
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+ "additionalProperties": true,
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  "required": [
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  "name"
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  ]
@@ -307,6 +308,7 @@
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  "type": "string"
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  }
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  },
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+ "additionalProperties": true,
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  "required": [
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  "name"
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  ]
@@ -337,6 +339,7 @@
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  "type": "string"
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  }
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  },
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+ "additionalProperties": true,
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  "required": [
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  "name"
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  ]
@@ -367,6 +370,7 @@
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  "type": "string"
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  }
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  },
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+ "additionalProperties": true,
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  "required": [
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  "name"
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  ]
@@ -530,6 +534,7 @@
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  "type": "string"
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  }
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  },
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+ "additionalProperties": true,
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  "required": [
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  "name"
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  ]
@@ -560,6 +565,7 @@
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  "type": "string"
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  }
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  },
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+ "additionalProperties": true,
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  "required": [
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  "name"
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  ]
@@ -590,6 +596,7 @@
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  "type": "string"
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  }
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  },
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+ "additionalProperties": true,
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  "required": [
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  "name"
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  ]
@@ -620,6 +627,7 @@
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  "type": "string"
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  }
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  },
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+ "additionalProperties": true,
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  "required": [
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  "name"
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  ]
@@ -801,6 +809,7 @@
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  "type": "string"
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  }
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  },
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+ "additionalProperties": true,
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  "required": [
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  "name"
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  ]
@@ -831,6 +840,7 @@
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  "type": "string"
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  }
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  },
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+ "additionalProperties": true,
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  "required": [
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  "name"
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  ]
@@ -861,6 +871,7 @@
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  "type": "string"
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  }
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  },
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+ "additionalProperties": true,
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  "required": [
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  "name"
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  ]
@@ -891,6 +902,7 @@
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  "type": "string"
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  }
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  },
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+ "additionalProperties": true,
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  "required": [
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  "name"
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  ]
@@ -1034,6 +1046,7 @@
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  "type": "string"
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  }
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  },
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+ "additionalProperties": true,
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  "required": [
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  "name"
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  ]
@@ -1064,6 +1077,7 @@
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  "type": "string"
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  }
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  },
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+ "additionalProperties": true,
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  "required": [
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  "name"
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  ]
@@ -1094,6 +1108,7 @@
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  "type": "string"
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  }
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  },
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+ "additionalProperties": true,
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  "name"
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  ]
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  "type": "string"
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  }
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  },
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+ "additionalProperties": true,
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  "required": [
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  "name"
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  ]
@@ -1188,7 +1204,6 @@
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  "$schema": "http://json-schema.org/draft-07/schema#",
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  "title": "application schema (base)",
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  "type": "object",
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- "additionalProperties": true,
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  "properties": {
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  "shortName": {
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  "description": "The short name of the application. e.g. qe",
@@ -1206,6 +1221,11 @@
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  "description": "Application build. e.g. VTST",
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  "type": "string"
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  },
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+ "isDefault": {
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+ "description": "Whether the build is the default build",
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+ "type": "boolean",
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+ "default": false
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+ },
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  "hasAdvancedComputeOptions": {
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  "description": "Whether advanced compute options are present",
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  "type": "boolean"
@@ -1233,11 +1253,6 @@
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  "name": {
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  "description": "entity name",
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  "type": "string"
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- },
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- "isDefault": {
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- "description": "Identifies that entity is defaultable",
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- "type": "boolean",
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- "default": false
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  }
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  }
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  },
@@ -1306,6 +1321,7 @@
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  "type": "string"
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  }
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  },
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+ "additionalProperties": true,
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  "required": [
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  "name"
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  ]
@@ -1336,6 +1352,7 @@
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  "type": "string"
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  }
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  },
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+ "additionalProperties": true,
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  "required": [
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  "name"
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@@ -1366,6 +1383,7 @@
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  "type": "string"
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  }
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  },
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+ "additionalProperties": true,
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  "required": [
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  "name"
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@@ -1396,6 +1414,7 @@
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  "type": "string"
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  }
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  },
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+ "additionalProperties": true,
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  "required": [
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  "name"
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@@ -1499,6 +1518,7 @@
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  "type": "string"
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  }
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  },
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+ "additionalProperties": true,
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  "required": [
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  "name"
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  ]
@@ -1529,6 +1549,7 @@
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  "type": "string"
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  }
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  },
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+ "additionalProperties": true,
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  "required": [
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  "name"
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@@ -1559,6 +1580,7 @@
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  "type": "string"
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  }
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  },
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+ "additionalProperties": true,
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  "required": [
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  "name"
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@@ -1589,6 +1611,7 @@
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  "type": "string"
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  }
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+ "additionalProperties": true,
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  "name"
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@@ -1682,6 +1705,7 @@
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  "type": "string"
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  }
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  },
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+ "additionalProperties": true,
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  "required": [
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  "name"
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@@ -1712,6 +1736,7 @@
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  "type": "string"
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  }
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+ "additionalProperties": true,
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  "required": [
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@@ -1742,6 +1767,7 @@
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  "type": "string"
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  }
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+ "additionalProperties": true,
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+ "additionalProperties": true,
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@@ -1949,6 +1976,7 @@
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+ "additionalProperties": true,
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+ "additionalProperties": true,
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  "required": [
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@@ -2009,6 +2038,7 @@
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  "type": "string"
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+ "additionalProperties": true,
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@@ -2039,6 +2069,7 @@
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+ "additionalProperties": true,
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@@ -2189,6 +2220,7 @@
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+ "additionalProperties": true,
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@@ -2219,6 +2251,7 @@
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  "type": "string"
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+ "additionalProperties": true,
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@@ -2249,6 +2282,7 @@
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+ "additionalProperties": true,
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  "name"
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@@ -2279,6 +2313,7 @@
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  "type": "string"
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+ "additionalProperties": true,
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  "required": [
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  "name"
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@@ -2383,7 +2418,6 @@
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  "$schema": "http://json-schema.org/draft-07/schema#",
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  "title": "application schema (base)",
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  "type": "object",
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- "additionalProperties": true,
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  "properties": {
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  "shortName": {
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  "description": "The short name of the application. e.g. qe",
@@ -2401,6 +2435,11 @@
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  "description": "Application build. e.g. VTST",
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  "type": "string"
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  },
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+ "isDefault": {
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+ "description": "Whether the build is the default build",
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+ "type": "boolean",
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+ "default": false
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+ },
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  "hasAdvancedComputeOptions": {
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  "description": "Whether advanced compute options are present",
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  "type": "boolean"
@@ -2428,11 +2467,6 @@
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  "name": {
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  "description": "entity name",
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  "type": "string"
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- },
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- "isDefault": {
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- "description": "Identifies that entity is defaultable",
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- "type": "boolean",
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- "default": false
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  }
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  }
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  },
@@ -2441,6 +2475,10 @@
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  "type": "boolean",
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  "default": false
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  },
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+ "systemName": {
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+ "description": "system name of the subworkflow",
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+ "type": "string"
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+ },
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  "_id": {
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  "description": "subworkflow identity",
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  "type": "string"
@@ -2875,6 +2913,7 @@
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  "type": "string"
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  }
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+ "additionalProperties": true,
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  "required": [
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  "type": "string"
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+ "additionalProperties": true,
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  }
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+ "additionalProperties": true,
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@@ -2965,6 +3006,7 @@
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+ "additionalProperties": true,
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+ "additionalProperties": true,
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+ "additionalProperties": true,
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+ "additionalProperties": true,
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+ "additionalProperties": true,
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@@ -3399,6 +3445,7 @@
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  "type": "string"
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+ "additionalProperties": true,
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@@ -3429,6 +3476,7 @@
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  "type": "string"
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  }
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+ "additionalProperties": true,
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  "required": [
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+ "additionalProperties": true,
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  "required": [
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+ "additionalProperties": true,
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  "name"
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  ]
@@ -3632,6 +3682,7 @@
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  "type": "string"
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  }
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+ "additionalProperties": true,
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  "required": [
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  "name"
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  ]
@@ -3662,6 +3713,7 @@
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  "type": "string"
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  }
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  },
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+ "additionalProperties": true,
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  "required": [
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  "name"
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  ]
@@ -3692,6 +3744,7 @@
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  "type": "string"
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  }
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  },
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+ "additionalProperties": true,
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  "required": [
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  "name"
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  "type": "string"
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  }
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+ "additionalProperties": true,
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  "required": [
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  "name"
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  ]
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  "$schema": "http://json-schema.org/draft-07/schema#",
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  "title": "application schema (base)",
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  "type": "object",
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- "additionalProperties": true,
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  "properties": {
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  "shortName": {
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  "description": "The short name of the application. e.g. qe",
@@ -3804,6 +3857,11 @@
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  "description": "Application build. e.g. VTST",
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  "type": "string"
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  },
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+ "isDefault": {
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+ "description": "Whether the build is the default build",
3862
+ "type": "boolean",
3863
+ "default": false
3864
+ },
3807
3865
  "hasAdvancedComputeOptions": {
3808
3866
  "description": "Whether advanced compute options are present",
3809
3867
  "type": "boolean"
@@ -3831,11 +3889,6 @@
3831
3889
  "name": {
3832
3890
  "description": "entity name",
3833
3891
  "type": "string"
3834
- },
3835
- "isDefault": {
3836
- "description": "Identifies that entity is defaultable",
3837
- "type": "boolean",
3838
- "default": false
3839
3892
  }
3840
3893
  }
3841
3894
  },
@@ -3904,6 +3957,7 @@
3904
3957
  "type": "string"
3905
3958
  }
3906
3959
  },
3960
+ "additionalProperties": true,
3907
3961
  "required": [
3908
3962
  "name"
3909
3963
  ]
@@ -3934,6 +3988,7 @@
3934
3988
  "type": "string"
3935
3989
  }
3936
3990
  },
3991
+ "additionalProperties": true,
3937
3992
  "required": [
3938
3993
  "name"
3939
3994
  ]
@@ -3964,6 +4019,7 @@
3964
4019
  "type": "string"
3965
4020
  }
3966
4021
  },
4022
+ "additionalProperties": true,
3967
4023
  "required": [
3968
4024
  "name"
3969
4025
  ]
@@ -3994,6 +4050,7 @@
3994
4050
  "type": "string"
3995
4051
  }
3996
4052
  },
4053
+ "additionalProperties": true,
3997
4054
  "required": [
3998
4055
  "name"
3999
4056
  ]
@@ -4097,6 +4154,7 @@
4097
4154
  "type": "string"
4098
4155
  }
4099
4156
  },
4157
+ "additionalProperties": true,
4100
4158
  "required": [
4101
4159
  "name"
4102
4160
  ]
@@ -4127,6 +4185,7 @@
4127
4185
  "type": "string"
4128
4186
  }
4129
4187
  },
4188
+ "additionalProperties": true,
4130
4189
  "required": [
4131
4190
  "name"
4132
4191
  ]
@@ -4157,6 +4216,7 @@
4157
4216
  "type": "string"
4158
4217
  }
4159
4218
  },
4219
+ "additionalProperties": true,
4160
4220
  "required": [
4161
4221
  "name"
4162
4222
  ]
@@ -4187,6 +4247,7 @@
4187
4247
  "type": "string"
4188
4248
  }
4189
4249
  },
4250
+ "additionalProperties": true,
4190
4251
  "required": [
4191
4252
  "name"
4192
4253
  ]
@@ -4280,6 +4341,7 @@
4280
4341
  "type": "string"
4281
4342
  }
4282
4343
  },
4344
+ "additionalProperties": true,
4283
4345
  "required": [
4284
4346
  "name"
4285
4347
  ]
@@ -4310,6 +4372,7 @@
4310
4372
  "type": "string"
4311
4373
  }
4312
4374
  },
4375
+ "additionalProperties": true,
4313
4376
  "required": [
4314
4377
  "name"
4315
4378
  ]
@@ -4340,6 +4403,7 @@
4340
4403
  "type": "string"
4341
4404
  }
4342
4405
  },
4406
+ "additionalProperties": true,
4343
4407
  "required": [
4344
4408
  "name"
4345
4409
  ]
@@ -4370,6 +4434,7 @@
4370
4434
  "type": "string"
4371
4435
  }
4372
4436
  },
4437
+ "additionalProperties": true,
4373
4438
  "required": [
4374
4439
  "name"
4375
4440
  ]
@@ -4547,6 +4612,7 @@
4547
4612
  "type": "string"
4548
4613
  }
4549
4614
  },
4615
+ "additionalProperties": true,
4550
4616
  "required": [
4551
4617
  "name"
4552
4618
  ]
@@ -4577,6 +4643,7 @@
4577
4643
  "type": "string"
4578
4644
  }
4579
4645
  },
4646
+ "additionalProperties": true,
4580
4647
  "required": [
4581
4648
  "name"
4582
4649
  ]
@@ -4607,6 +4674,7 @@
4607
4674
  "type": "string"
4608
4675
  }
4609
4676
  },
4677
+ "additionalProperties": true,
4610
4678
  "required": [
4611
4679
  "name"
4612
4680
  ]
@@ -4637,6 +4705,7 @@
4637
4705
  "type": "string"
4638
4706
  }
4639
4707
  },
4708
+ "additionalProperties": true,
4640
4709
  "required": [
4641
4710
  "name"
4642
4711
  ]
@@ -4787,6 +4856,7 @@
4787
4856
  "type": "string"
4788
4857
  }
4789
4858
  },
4859
+ "additionalProperties": true,
4790
4860
  "required": [
4791
4861
  "name"
4792
4862
  ]
@@ -4817,6 +4887,7 @@
4817
4887
  "type": "string"
4818
4888
  }
4819
4889
  },
4890
+ "additionalProperties": true,
4820
4891
  "required": [
4821
4892
  "name"
4822
4893
  ]
@@ -4847,6 +4918,7 @@
4847
4918
  "type": "string"
4848
4919
  }
4849
4920
  },
4921
+ "additionalProperties": true,
4850
4922
  "required": [
4851
4923
  "name"
4852
4924
  ]
@@ -4877,6 +4949,7 @@
4877
4949
  "type": "string"
4878
4950
  }
4879
4951
  },
4952
+ "additionalProperties": true,
4880
4953
  "required": [
4881
4954
  "name"
4882
4955
  ]
@@ -5057,6 +5130,7 @@
5057
5130
  "type": "string"
5058
5131
  }
5059
5132
  },
5133
+ "additionalProperties": true,
5060
5134
  "required": [
5061
5135
  "name"
5062
5136
  ]
@@ -5087,6 +5161,7 @@
5087
5161
  "type": "string"
5088
5162
  }
5089
5163
  },
5164
+ "additionalProperties": true,
5090
5165
  "required": [
5091
5166
  "name"
5092
5167
  ]
@@ -5117,6 +5192,7 @@
5117
5192
  "type": "string"
5118
5193
  }
5119
5194
  },
5195
+ "additionalProperties": true,
5120
5196
  "required": [
5121
5197
  "name"
5122
5198
  ]
@@ -5147,6 +5223,7 @@
5147
5223
  "type": "string"
5148
5224
  }
5149
5225
  },
5226
+ "additionalProperties": true,
5150
5227
  "required": [
5151
5228
  "name"
5152
5229
  ]
@@ -5280,6 +5357,7 @@
5280
5357
  "type": "string"
5281
5358
  }
5282
5359
  },
5360
+ "additionalProperties": true,
5283
5361
  "required": [
5284
5362
  "name"
5285
5363
  ]
@@ -5310,6 +5388,7 @@
5310
5388
  "type": "string"
5311
5389
  }
5312
5390
  },
5391
+ "additionalProperties": true,
5313
5392
  "required": [
5314
5393
  "name"
5315
5394
  ]
@@ -5340,6 +5419,7 @@
5340
5419
  "type": "string"
5341
5420
  }
5342
5421
  },
5422
+ "additionalProperties": true,
5343
5423
  "required": [
5344
5424
  "name"
5345
5425
  ]
@@ -5370,6 +5450,7 @@
5370
5450
  "type": "string"
5371
5451
  }
5372
5452
  },
5453
+ "additionalProperties": true,
5373
5454
  "required": [
5374
5455
  "name"
5375
5456
  ]
@@ -5441,6 +5522,10 @@
5441
5522
  "description": "Whether to use the dataset tab in the job designer. Mutually exclusive with using the materials tab.",
5442
5523
  "type": "boolean"
5443
5524
  },
5525
+ "isMultiMaterial": {
5526
+ "description": "Defines whether the workflow is for a multi-material simulation",
5527
+ "type": "boolean"
5528
+ },
5444
5529
  "workflows": {
5445
5530
  "description": "Array of workflows with the same schema as the current one.",
5446
5531
  "type": "array",
@@ -5448,6 +5533,23 @@
5448
5533
  "type": "object"
5449
5534
  }
5450
5535
  },
5536
+ "application": {
5537
+ "description": "information about the main application used for workflow categorization by application in standata.",
5538
+ "type": "object",
5539
+ "properties": {
5540
+ "name": {
5541
+ "description": "name of the application",
5542
+ "type": "string"
5543
+ }
5544
+ }
5545
+ },
5546
+ "tags": {
5547
+ "description": "tags for the workflow",
5548
+ "type": "array",
5549
+ "items": {
5550
+ "type": "string"
5551
+ }
5552
+ },
5451
5553
  "_id": {
5452
5554
  "description": "entity identity",
5453
5555
  "type": "string"