@mat3ra/esse 2026.2.27-0 → 2026.3.25-0
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.
- package/dist/js/schema/in_memory_entity/named_defaultable_runtime_items.json +4 -0
- package/dist/js/schema/job.json +120 -18
- package/dist/js/schema/properties_directory/enum_options.json +2 -0
- package/dist/js/schema/properties_directory/non_scalar/workflow.json +120 -18
- package/dist/js/schema/properties_directory/scalar/homo_energy.json +42 -0
- package/dist/js/schema/properties_directory/scalar/lumo_energy.json +42 -0
- package/dist/js/schema/property/holder.json +202 -18
- package/dist/js/schema/software/application/build_config.json +39 -0
- package/dist/js/schema/software/application.json +5 -6
- package/dist/js/schema/software/application_with_build_config.json +95 -0
- package/dist/js/schema/software/executable.json +4 -0
- package/dist/js/schema/software/flavor.json +4 -0
- package/dist/js/schema/software/template.json +1 -0
- package/dist/js/schema/software_directory/modeling/deepmd.json +5 -6
- package/dist/js/schema/software_directory/modeling/nwchem.json +5 -6
- package/dist/js/schema/software_directory/modeling/unit/execution.json +17 -6
- package/dist/js/schema/software_directory/modeling/vasp.json +5 -6
- package/dist/js/schema/software_directory/scripting/jupyter_lab.json +5 -6
- package/dist/js/schema/software_directory/scripting/python.json +5 -6
- package/dist/js/schema/software_directory/scripting/shell.json +5 -6
- package/dist/js/schema/software_directory/scripting/unit/execution.json +17 -6
- package/dist/js/schema/workflow/base.json +21 -0
- package/dist/js/schema/workflow/subworkflow/unit.json +41 -6
- package/dist/js/schema/workflow/subworkflow.json +50 -12
- package/dist/js/schema/workflow/unit/assertion.json +4 -0
- package/dist/js/schema/workflow/unit/assignment.json +4 -0
- package/dist/js/schema/workflow/unit/base.json +4 -0
- package/dist/js/schema/workflow/unit/condition.json +4 -0
- package/dist/js/schema/workflow/unit/execution.json +17 -6
- package/dist/js/schema/workflow/unit/io.json +4 -0
- package/dist/js/schema/workflow/unit/map.json +4 -0
- package/dist/js/schema/workflow/unit/processing.json +4 -0
- package/dist/js/schema/workflow/unit/reduce.json +4 -0
- package/dist/js/schema/workflow/unit/runtime/_runtime_item_name_object.json +1 -0
- package/dist/js/schema/workflow/unit/runtime/runtime_item.json +1 -0
- package/dist/js/schema/workflow/unit/runtime/runtime_items.json +4 -0
- package/dist/js/schema/workflow/unit/subworkflow.json +4 -0
- package/dist/js/schema/workflow/unit.json +49 -6
- package/dist/js/schema/workflow.json +120 -18
- package/dist/js/schemas.json +1 -1
- package/dist/js/types.d.ts +863 -128
- package/dist/js/utils/ajv.d.ts +4 -2
- package/dist/js/utils/ajv.js +22 -7
- package/manifest/properties.yaml +12 -0
- package/package.json +2 -2
- package/schema/properties_directory/enum_options.json +2 -0
- package/schema/properties_directory/scalar/homo_energy.json +21 -0
- package/schema/properties_directory/scalar/lumo_energy.json +21 -0
- package/schema/property/holder.json +6 -0
- package/schema/software/application/build_config.json +39 -0
- package/schema/software/application.json +5 -2
- package/schema/software/application_with_build_config.json +18 -0
- package/schema/workflow/base.json +21 -0
- package/schema/workflow/subworkflow.json +4 -0
- package/schema/workflow/unit/runtime/_runtime_item_name_object.json +1 -0
- package/src/js/utils/ajv.ts +27 -7
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"title": "LUMO energy property schema",
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"systemName": {
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|
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|
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|
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|
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|
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|
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"description": "Application build. e.g. VTST",
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
"hasAdvancedComputeOptions": {
|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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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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"required": [
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"type": "string"
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"type": "string"
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"additionalProperties": true,
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"required": [
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@@ -6642,6 +6789,7 @@
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"type": "string"
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"additionalProperties": true,
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"required": [
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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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}
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"additionalProperties": true,
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"required": [
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@@ -6732,6 +6882,7 @@
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"type": "string"
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"additionalProperties": true,
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"required": [
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@@ -6882,6 +7033,7 @@
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"type": "string"
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}
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"required": [
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"type": "string"
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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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"required": [
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"type": "string"
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"required": [
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"type": "string"
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"required": [
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@@ -7182,6 +7338,7 @@
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"type": "string"
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"required": [
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@@ -7242,6 +7400,7 @@
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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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|
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|
]
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|
@@ -7375,6 +7534,7 @@
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|
"type": "string"
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|
}
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|
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|
"required": [
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|
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|
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@@ -7405,6 +7565,7 @@
|
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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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|
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]
|
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@@ -7435,6 +7596,7 @@
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|
"type": "string"
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|
}
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|
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|
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"additionalProperties": true,
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|
"required": [
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|
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|
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|
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@@ -7465,6 +7627,7 @@
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|
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|
}
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|
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"additionalProperties": true,
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|
"required": [
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|
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|
]
|
|
@@ -7536,6 +7699,10 @@
|
|
|
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|
"description": "Whether to use the dataset tab in the job designer. Mutually exclusive with using the materials tab.",
|
|
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|
"type": "boolean"
|
|
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|
},
|
|
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|
+
"isMultiMaterial": {
|
|
7703
|
+
"description": "Defines whether the workflow is for a multi-material simulation",
|
|
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|
+
"type": "boolean"
|
|
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|
+
},
|
|
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|
"workflows": {
|
|
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|
"description": "Array of workflows with the same schema as the current one.",
|
|
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|
"type": "array",
|
|
@@ -7543,6 +7710,23 @@
|
|
|
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|
"type": "object"
|
|
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|
}
|
|
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|
},
|
|
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|
+
"application": {
|
|
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|
+
"description": "information about the main application used for workflow categorization by application in standata.",
|
|
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|
+
"type": "object",
|
|
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|
+
"properties": {
|
|
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|
+
"name": {
|
|
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|
+
"description": "name of the application",
|
|
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|
+
"type": "string"
|
|
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|
+
}
|
|
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|
+
}
|
|
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|
+
},
|
|
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|
+
"tags": {
|
|
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|
+
"description": "tags for the workflow",
|
|
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|
+
"type": "array",
|
|
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|
+
"items": {
|
|
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|
+
"type": "string"
|
|
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|
+
}
|
|
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|
+
},
|
|
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|
"_id": {
|
|
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|
"description": "entity identity",
|
|
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|
"type": "string"
|