@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/property/holder.json CHANGED
@@ -2372,6 +2372,7 @@
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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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  ]
@@ -2402,6 +2403,7 @@
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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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  ]
@@ -2432,6 +2434,7 @@
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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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  ]
@@ -2462,6 +2465,7 @@
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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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  ]
@@ -2625,6 +2629,7 @@
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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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  ]
@@ -2655,6 +2660,7 @@
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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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  ]
@@ -2685,6 +2691,7 @@
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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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  ]
@@ -2715,6 +2722,7 @@
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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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  ]
@@ -2896,6 +2904,7 @@
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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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  ]
@@ -2926,6 +2935,7 @@
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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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  ]
@@ -2956,6 +2966,7 @@
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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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  ]
@@ -2986,6 +2997,7 @@
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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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  ]
@@ -3129,6 +3141,7 @@
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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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  ]
@@ -3159,6 +3172,7 @@
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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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  ]
@@ -3189,6 +3203,7 @@
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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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  ]
@@ -3219,6 +3234,7 @@
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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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  ]
@@ -3283,7 +3299,6 @@
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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",
@@ -3301,6 +3316,11 @@
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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"
@@ -3328,11 +3348,6 @@
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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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  },
@@ -3401,6 +3416,7 @@
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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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  ]
@@ -3431,6 +3447,7 @@
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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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  ]
@@ -3461,6 +3478,7 @@
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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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  ]
@@ -3491,6 +3509,7 @@
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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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  ]
@@ -3594,6 +3613,7 @@
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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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  ]
@@ -3624,6 +3644,7 @@
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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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  ]
@@ -3654,6 +3675,7 @@
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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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  ]
@@ -3684,6 +3706,7 @@
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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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  ]
@@ -3777,6 +3800,7 @@
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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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  ]
@@ -3807,6 +3831,7 @@
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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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  ]
@@ -3837,6 +3862,7 @@
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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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  ]
@@ -3867,6 +3893,7 @@
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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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  ]
@@ -4044,6 +4071,7 @@
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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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  ]
@@ -4074,6 +4102,7 @@
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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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  ]
@@ -4104,6 +4133,7 @@
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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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  ]
@@ -4134,6 +4164,7 @@
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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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  ]
@@ -4284,6 +4315,7 @@
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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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  ]
@@ -4314,6 +4346,7 @@
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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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  ]
@@ -4344,6 +4377,7 @@
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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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@@ -4374,6 +4408,7 @@
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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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  ]
@@ -4478,7 +4513,6 @@
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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",
@@ -4496,6 +4530,11 @@
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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": {
4534
+ "description": "Whether the build is the default build",
4535
+ "type": "boolean",
4536
+ "default": false
4537
+ },
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  "hasAdvancedComputeOptions": {
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  "description": "Whether advanced compute options are present",
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  "type": "boolean"
@@ -4523,11 +4562,6 @@
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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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  },
@@ -4536,6 +4570,10 @@
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  "type": "boolean",
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  "default": false
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  },
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+ "systemName": {
4574
+ "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"
@@ -4970,6 +5008,7 @@
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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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  ]
@@ -5000,6 +5039,7 @@
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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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  ]
@@ -5030,6 +5070,7 @@
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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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  ]
@@ -5060,6 +5101,7 @@
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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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  ]
@@ -5223,6 +5265,7 @@
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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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  ]
@@ -5253,6 +5296,7 @@
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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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  ]
@@ -5283,6 +5327,7 @@
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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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  ]
@@ -5313,6 +5358,7 @@
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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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  ]
@@ -5494,6 +5540,7 @@
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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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  ]
@@ -5524,6 +5571,7 @@
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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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  ]
@@ -5554,6 +5602,7 @@
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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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  ]
@@ -5584,6 +5633,7 @@
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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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  ]
@@ -5727,6 +5777,7 @@
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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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  ]
@@ -5757,6 +5808,7 @@
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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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  ]
@@ -5787,6 +5839,7 @@
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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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  ]
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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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  ]
@@ -5881,7 +5935,6 @@
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  "$schema": "http://json-schema.org/draft-07/schema#",
5882
5936
  "title": "application schema (base)",
5883
5937
  "type": "object",
5884
- "additionalProperties": true,
5885
5938
  "properties": {
5886
5939
  "shortName": {
5887
5940
  "description": "The short name of the application. e.g. qe",
@@ -5899,6 +5952,11 @@
5899
5952
  "description": "Application build. e.g. VTST",
5900
5953
  "type": "string"
5901
5954
  },
5955
+ "isDefault": {
5956
+ "description": "Whether the build is the default build",
5957
+ "type": "boolean",
5958
+ "default": false
5959
+ },
5902
5960
  "hasAdvancedComputeOptions": {
5903
5961
  "description": "Whether advanced compute options are present",
5904
5962
  "type": "boolean"
@@ -5926,11 +5984,6 @@
5926
5984
  "name": {
5927
5985
  "description": "entity name",
5928
5986
  "type": "string"
5929
- },
5930
- "isDefault": {
5931
- "description": "Identifies that entity is defaultable",
5932
- "type": "boolean",
5933
- "default": false
5934
5987
  }
5935
5988
  }
5936
5989
  },
@@ -5999,6 +6052,7 @@
5999
6052
  "type": "string"
6000
6053
  }
6001
6054
  },
6055
+ "additionalProperties": true,
6002
6056
  "required": [
6003
6057
  "name"
6004
6058
  ]
@@ -6029,6 +6083,7 @@
6029
6083
  "type": "string"
6030
6084
  }
6031
6085
  },
6086
+ "additionalProperties": true,
6032
6087
  "required": [
6033
6088
  "name"
6034
6089
  ]
@@ -6059,6 +6114,7 @@
6059
6114
  "type": "string"
6060
6115
  }
6061
6116
  },
6117
+ "additionalProperties": true,
6062
6118
  "required": [
6063
6119
  "name"
6064
6120
  ]
@@ -6089,6 +6145,7 @@
6089
6145
  "type": "string"
6090
6146
  }
6091
6147
  },
6148
+ "additionalProperties": true,
6092
6149
  "required": [
6093
6150
  "name"
6094
6151
  ]
@@ -6192,6 +6249,7 @@
6192
6249
  "type": "string"
6193
6250
  }
6194
6251
  },
6252
+ "additionalProperties": true,
6195
6253
  "required": [
6196
6254
  "name"
6197
6255
  ]
@@ -6222,6 +6280,7 @@
6222
6280
  "type": "string"
6223
6281
  }
6224
6282
  },
6283
+ "additionalProperties": true,
6225
6284
  "required": [
6226
6285
  "name"
6227
6286
  ]
@@ -6252,6 +6311,7 @@
6252
6311
  "type": "string"
6253
6312
  }
6254
6313
  },
6314
+ "additionalProperties": true,
6255
6315
  "required": [
6256
6316
  "name"
6257
6317
  ]
@@ -6282,6 +6342,7 @@
6282
6342
  "type": "string"
6283
6343
  }
6284
6344
  },
6345
+ "additionalProperties": true,
6285
6346
  "required": [
6286
6347
  "name"
6287
6348
  ]
@@ -6375,6 +6436,7 @@
6375
6436
  "type": "string"
6376
6437
  }
6377
6438
  },
6439
+ "additionalProperties": true,
6378
6440
  "required": [
6379
6441
  "name"
6380
6442
  ]
@@ -6405,6 +6467,7 @@
6405
6467
  "type": "string"
6406
6468
  }
6407
6469
  },
6470
+ "additionalProperties": true,
6408
6471
  "required": [
6409
6472
  "name"
6410
6473
  ]
@@ -6435,6 +6498,7 @@
6435
6498
  "type": "string"
6436
6499
  }
6437
6500
  },
6501
+ "additionalProperties": true,
6438
6502
  "required": [
6439
6503
  "name"
6440
6504
  ]
@@ -6465,6 +6529,7 @@
6465
6529
  "type": "string"
6466
6530
  }
6467
6531
  },
6532
+ "additionalProperties": true,
6468
6533
  "required": [
6469
6534
  "name"
6470
6535
  ]
@@ -6642,6 +6707,7 @@
6642
6707
  "type": "string"
6643
6708
  }
6644
6709
  },
6710
+ "additionalProperties": true,
6645
6711
  "required": [
6646
6712
  "name"
6647
6713
  ]
@@ -6672,6 +6738,7 @@
6672
6738
  "type": "string"
6673
6739
  }
6674
6740
  },
6741
+ "additionalProperties": true,
6675
6742
  "required": [
6676
6743
  "name"
6677
6744
  ]
@@ -6702,6 +6769,7 @@
6702
6769
  "type": "string"
6703
6770
  }
6704
6771
  },
6772
+ "additionalProperties": true,
6705
6773
  "required": [
6706
6774
  "name"
6707
6775
  ]
@@ -6732,6 +6800,7 @@
6732
6800
  "type": "string"
6733
6801
  }
6734
6802
  },
6803
+ "additionalProperties": true,
6735
6804
  "required": [
6736
6805
  "name"
6737
6806
  ]
@@ -6882,6 +6951,7 @@
6882
6951
  "type": "string"
6883
6952
  }
6884
6953
  },
6954
+ "additionalProperties": true,
6885
6955
  "required": [
6886
6956
  "name"
6887
6957
  ]
@@ -6912,6 +6982,7 @@
6912
6982
  "type": "string"
6913
6983
  }
6914
6984
  },
6985
+ "additionalProperties": true,
6915
6986
  "required": [
6916
6987
  "name"
6917
6988
  ]
@@ -6942,6 +7013,7 @@
6942
7013
  "type": "string"
6943
7014
  }
6944
7015
  },
7016
+ "additionalProperties": true,
6945
7017
  "required": [
6946
7018
  "name"
6947
7019
  ]
@@ -6972,6 +7044,7 @@
6972
7044
  "type": "string"
6973
7045
  }
6974
7046
  },
7047
+ "additionalProperties": true,
6975
7048
  "required": [
6976
7049
  "name"
6977
7050
  ]
@@ -7152,6 +7225,7 @@
7152
7225
  "type": "string"
7153
7226
  }
7154
7227
  },
7228
+ "additionalProperties": true,
7155
7229
  "required": [
7156
7230
  "name"
7157
7231
  ]
@@ -7182,6 +7256,7 @@
7182
7256
  "type": "string"
7183
7257
  }
7184
7258
  },
7259
+ "additionalProperties": true,
7185
7260
  "required": [
7186
7261
  "name"
7187
7262
  ]
@@ -7212,6 +7287,7 @@
7212
7287
  "type": "string"
7213
7288
  }
7214
7289
  },
7290
+ "additionalProperties": true,
7215
7291
  "required": [
7216
7292
  "name"
7217
7293
  ]
@@ -7242,6 +7318,7 @@
7242
7318
  "type": "string"
7243
7319
  }
7244
7320
  },
7321
+ "additionalProperties": true,
7245
7322
  "required": [
7246
7323
  "name"
7247
7324
  ]
@@ -7375,6 +7452,7 @@
7375
7452
  "type": "string"
7376
7453
  }
7377
7454
  },
7455
+ "additionalProperties": true,
7378
7456
  "required": [
7379
7457
  "name"
7380
7458
  ]
@@ -7405,6 +7483,7 @@
7405
7483
  "type": "string"
7406
7484
  }
7407
7485
  },
7486
+ "additionalProperties": true,
7408
7487
  "required": [
7409
7488
  "name"
7410
7489
  ]
@@ -7435,6 +7514,7 @@
7435
7514
  "type": "string"
7436
7515
  }
7437
7516
  },
7517
+ "additionalProperties": true,
7438
7518
  "required": [
7439
7519
  "name"
7440
7520
  ]
@@ -7465,6 +7545,7 @@
7465
7545
  "type": "string"
7466
7546
  }
7467
7547
  },
7548
+ "additionalProperties": true,
7468
7549
  "required": [
7469
7550
  "name"
7470
7551
  ]
@@ -7536,6 +7617,10 @@
7536
7617
  "description": "Whether to use the dataset tab in the job designer. Mutually exclusive with using the materials tab.",
7537
7618
  "type": "boolean"
7538
7619
  },
7620
+ "isMultiMaterial": {
7621
+ "description": "Defines whether the workflow is for a multi-material simulation",
7622
+ "type": "boolean"
7623
+ },
7539
7624
  "workflows": {
7540
7625
  "description": "Array of workflows with the same schema as the current one.",
7541
7626
  "type": "array",
@@ -7543,6 +7628,23 @@
7543
7628
  "type": "object"
7544
7629
  }
7545
7630
  },
7631
+ "application": {
7632
+ "description": "information about the main application used for workflow categorization by application in standata.",
7633
+ "type": "object",
7634
+ "properties": {
7635
+ "name": {
7636
+ "description": "name of the application",
7637
+ "type": "string"
7638
+ }
7639
+ }
7640
+ },
7641
+ "tags": {
7642
+ "description": "tags for the workflow",
7643
+ "type": "array",
7644
+ "items": {
7645
+ "type": "string"
7646
+ }
7647
+ },
7546
7648
  "_id": {
7547
7649
  "description": "entity identity",
7548
7650
  "type": "string"