@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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{
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"$id": "software/application/build-config",
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"$schema": "http://json-schema.org/draft-07/schema#",
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"title": "application versions with build config schema",
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"type": "object",
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"properties": {
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"bio": {
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"description": "The bio description used for the module files.",
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"type": "string"
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"moduleName": {
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"description": "Modulefile name specific to application version and build type.",
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"type": "string"
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"imageName": {
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"description": "Apptainer image name.",
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"type": "string"
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"imageTag": {
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"description": "Apptainer image tag.",
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"type": "string"
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"dependencies": {
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"description": "List of modulefile dependencies.",
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"type": "array",
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"items": {
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"environmentVariables": {
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"description": "Environment variables to be exported before running the application, containing the key and value pairs.",
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"type": "object"
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"prependVariables": {
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"description": "Variables to be prepended to the existing environment variable before running the application, containing the key and value pairs, e.g., PATH, LD_LIBRARY_PATH, etc.",
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"$schema": "http://json-schema.org/draft-07/schema#",
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"title": "application schema (base)",
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"shortName": {
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"description": "The short name of the application. e.g. qe",
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"description": "Application build. e.g. VTST",
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"isDefault": {
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"description": "Whether the build is the default build",
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"default": false
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"hasAdvancedComputeOptions": {
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"name": {
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"description": "entity name",
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"isDefault": {
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"description": "Identifies that entity is defaultable",
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"$id": "software/application-with-build-config",
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"$schema": "http://json-schema.org/draft-07/schema#",
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"title": "application with build config schema",
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"type": "object",
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"properties": {
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"buildConfig": {
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"$schema": "http://json-schema.org/draft-07/schema#",
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"title": "application versions with build config schema",
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"type": "object",
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"properties": {
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"bio": {
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"description": "The bio description used for the module files.",
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"type": "string"
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"moduleName": {
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"description": "Modulefile name specific to application version and build type.",
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"type": "string"
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"imageName": {
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"description": "Apptainer image name.",
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"type": "string"
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},
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"imageTag": {
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"description": "Apptainer image tag.",
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"type": "string"
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"dependencies": {
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"description": "List of modulefile dependencies.",
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"type": "array",
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"items": {
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"environmentVariables": {
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"description": "Environment variables to be exported before running the application, containing the key and value pairs.",
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"type": "object"
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},
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"prependVariables": {
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"description": "Variables to be prepended to the existing environment variable before running the application, containing the key and value pairs, e.g., PATH, LD_LIBRARY_PATH, etc.",
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"type": "object"
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}
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}
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},
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"shortName": {
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"description": "The short name of the application. e.g. qe",
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"type": "string"
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"summary": {
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"description": "Application's short description.",
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"type": "string"
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"version": {
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"description": "Application version. e.g. 5.3.5",
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"type": "string"
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"build": {
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"description": "Application build. e.g. VTST",
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"isDefault": {
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"description": "Whether the build is the default build",
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"hasAdvancedComputeOptions": {
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"description": "Whether advanced compute options are present",
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"isLicensed": {
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"description": "Whether licensing is present",
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"_id": {
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"description": "entity identity",
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"slug": {
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652
662
|
}
|
|
653
663
|
},
|
|
664
|
+
"additionalProperties": true,
|
|
654
665
|
"required": [
|
|
655
666
|
"name"
|
|
656
667
|
]
|