@mat3ra/esse 2024.2.19-1 → 2024.2.29-0

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Files changed (24) hide show
  1. package/lib/js/schema/core/reusable/object_storage_container_data.json +0 -6
  2. package/lib/js/schema/job/base.json +2 -0
  3. package/lib/js/schema/job/compute.json +2 -0
  4. package/lib/js/schema/job.json +20 -22
  5. package/lib/js/schema/material.json +8 -1
  6. package/lib/js/schema/properties_directory/non_scalar/file_content.json +0 -6
  7. package/lib/js/schema/system/database_source.json +8 -1
  8. package/lib/js/schema/workflow/base_flow.json +2 -0
  9. package/lib/js/schema/workflow/subworkflow/unit.json +8 -11
  10. package/lib/js/schema/workflow/subworkflow.json +10 -11
  11. package/lib/js/schema/workflow/unit/io/api.json +1 -0
  12. package/lib/js/schema/workflow/unit/io/db.json +4 -2
  13. package/lib/js/schema/workflow/unit/io/object_storage.json +2 -8
  14. package/lib/js/schema/workflow/unit/io.json +8 -11
  15. package/lib/js/schema/workflow/unit.json +8 -11
  16. package/lib/js/schema/workflow.json +18 -22
  17. package/lib/js/schemas.json +1 -1
  18. package/package.json +3 -3
  19. package/schema/core/reusable/object_storage_container_data.json +1 -7
  20. package/schema/job/compute.json +6 -1
  21. package/schema/system/database_source.json +8 -1
  22. package/schema/workflow/unit/io/api.json +2 -1
  23. package/schema/workflow/unit/io/db.json +4 -2
  24. package/schema/workflow/unit/io/object_storage.json +3 -3
package/lib/js/schema/core/reusable/object_storage_container_data.json CHANGED
@@ -3,12 +3,6 @@
3
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  "$schema": "http://json-schema.org/draft-07/schema#",
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  "title": "Object Storage Container Data",
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  "type": "object",
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- "required": [
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- "CONTAINER",
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- "NAME",
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- "PROVIDER",
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- "REGION"
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- ],
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  "properties": {
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  "CONTAINER": {
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  "description": "Object storage container for the file",
package/lib/js/schema/job/base.json CHANGED
@@ -118,6 +118,8 @@
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  "type": "integer"
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  },
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  "arguments": {
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+ "description": "Optional arguments specific to using application - VASP, Quantum Espresso, etc. Specified elsewhere",
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+ "default": {},
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  "$schema": "http://json-schema.org/draft-07/schema#",
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  "title": "quantum espresso arguments schema",
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  "type": "object",
package/lib/js/schema/job/compute.json CHANGED
@@ -81,6 +81,8 @@
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  "type": "integer"
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  },
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  "arguments": {
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+ "description": "Optional arguments specific to using application - VASP, Quantum Espresso, etc. Specified elsewhere",
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+ "default": {},
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  "$schema": "http://json-schema.org/draft-07/schema#",
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  "title": "quantum espresso arguments schema",
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  "type": "object",
package/lib/js/schema/job.json CHANGED
@@ -100,7 +100,8 @@
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  "required": [
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  "endpoint",
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  "endpoint_options"
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- ]
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+ ],
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+ "additionalProperties": true
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  },
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  {
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  "$schema": "http://json-schema.org/draft-07/schema#",
@@ -119,7 +120,8 @@
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  },
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  "required": [
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  "ids"
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- ]
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+ ],
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+ "additionalProperties": true
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  },
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  {
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  "properties": {
@@ -136,7 +138,8 @@
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  "required": [
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  "collection",
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  "draft"
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- ]
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+ ],
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+ "additionalProperties": true
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  }
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  ]
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  },
@@ -145,20 +148,14 @@
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  "title": "object_storage io schema",
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  "type": "object",
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  "required": [
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- "objectData",
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- "basename"
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+ "objectData"
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  ],
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+ "additionalProperties": true,
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  "properties": {
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  "objectData": {
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  "$schema": "http://json-schema.org/draft-07/schema#",
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  "title": "Object Storage Container Data",
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  "type": "object",
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- "required": [
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- "CONTAINER",
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- "NAME",
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- "PROVIDER",
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- "REGION"
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- ],
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  "properties": {
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  "CONTAINER": {
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  "description": "Object storage container for the file",
@@ -3002,6 +2999,8 @@
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  "type": "integer"
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  },
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  "arguments": {
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+ "description": "Optional arguments specific to using application - VASP, Quantum Espresso, etc. Specified elsewhere",
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+ "default": {},
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  "$schema": "http://json-schema.org/draft-07/schema#",
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  "title": "quantum espresso arguments schema",
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  "type": "object",
@@ -3176,7 +3175,8 @@
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  "required": [
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  "endpoint",
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  "endpoint_options"
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- ]
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+ ],
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+ "additionalProperties": true
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  },
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  {
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  "$schema": "http://json-schema.org/draft-07/schema#",
@@ -3195,7 +3195,8 @@
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  },
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  "required": [
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  "ids"
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- ]
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+ ],
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+ "additionalProperties": true
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  },
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  {
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  "properties": {
@@ -3212,7 +3213,8 @@
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  "required": [
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  "collection",
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  "draft"
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- ]
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+ ],
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+ "additionalProperties": true
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  }
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  ]
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  },
@@ -3221,20 +3223,14 @@
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  "title": "object_storage io schema",
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  "type": "object",
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  "required": [
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- "objectData",
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- "basename"
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+ "objectData"
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  ],
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+ "additionalProperties": true,
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  "properties": {
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  "objectData": {
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  "$schema": "http://json-schema.org/draft-07/schema#",
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  "title": "Object Storage Container Data",
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  "type": "object",
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- "required": [
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- "CONTAINER",
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- "NAME",
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- "PROVIDER",
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- "REGION"
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- ],
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  "properties": {
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  "CONTAINER": {
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  "description": "Object storage container for the file",
@@ -6610,6 +6606,8 @@
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  "type": "integer"
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  },
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  "arguments": {
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+ "description": "Optional arguments specific to using application - VASP, Quantum Espresso, etc. Specified elsewhere",
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+ "default": {},
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  "$schema": "http://json-schema.org/draft-07/schema#",
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  "title": "quantum espresso arguments schema",
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  "type": "object",
package/lib/js/schema/material.json CHANGED
@@ -486,7 +486,14 @@
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  "properties": {
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  "id": {
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  "description": "ID string for the materials uploaded from a third party source inside the third party source. For materialsproject.org an example ID is mp-32",
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- "type": "string"
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+ "oneOf": [
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+ {
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+ "type": "string"
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+ },
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+ {
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+ "type": "number"
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+ }
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+ ]
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  },
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  "source": {
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  "description": "Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.",
package/lib/js/schema/properties_directory/non_scalar/file_content.json CHANGED
@@ -27,12 +27,6 @@
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  "$schema": "http://json-schema.org/draft-07/schema#",
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  "title": "Object Storage Container Data",
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  "type": "object",
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- "required": [
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- "CONTAINER",
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- "NAME",
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- "PROVIDER",
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- "REGION"
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- ],
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  "properties": {
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  "CONTAINER": {
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  "description": "Object storage container for the file",
package/lib/js/schema/system/database_source.json CHANGED
@@ -12,7 +12,14 @@
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  "properties": {
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  "id": {
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  "description": "ID string for the materials uploaded from a third party source inside the third party source. For materialsproject.org an example ID is mp-32",
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- "type": "string"
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+ "oneOf": [
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+ {
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+ "type": "string"
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+ },
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+ {
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+ "type": "number"
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+ }
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+ ]
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  },
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  "source": {
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  "description": "Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.",
package/lib/js/schema/workflow/base_flow.json CHANGED
@@ -110,6 +110,8 @@
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  "type": "integer"
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  },
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  "arguments": {
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+ "description": "Optional arguments specific to using application - VASP, Quantum Espresso, etc. Specified elsewhere",
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+ "default": {},
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  "$schema": "http://json-schema.org/draft-07/schema#",
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  "title": "quantum espresso arguments schema",
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  "type": "object",
package/lib/js/schema/workflow/subworkflow/unit.json CHANGED
@@ -63,7 +63,8 @@
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  "required": [
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  "endpoint",
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  "endpoint_options"
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- ]
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+ ],
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+ "additionalProperties": true
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  },
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  {
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  "$schema": "http://json-schema.org/draft-07/schema#",
@@ -82,7 +83,8 @@
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  },
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  "required": [
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  "ids"
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- ]
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+ ],
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+ "additionalProperties": true
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  },
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  {
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  "properties": {
@@ -99,7 +101,8 @@
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  "required": [
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  "collection",
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  "draft"
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- ]
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+ ],
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+ "additionalProperties": true
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  }
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  ]
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  },
@@ -108,20 +111,14 @@
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  "title": "object_storage io schema",
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  "type": "object",
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  "required": [
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- "objectData",
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- "basename"
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+ "objectData"
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  ],
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+ "additionalProperties": true,
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  "properties": {
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  "objectData": {
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  "$schema": "http://json-schema.org/draft-07/schema#",
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  "title": "Object Storage Container Data",
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  "type": "object",
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- "required": [
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- "CONTAINER",
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- "NAME",
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- "PROVIDER",
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- "REGION"
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- ],
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  "properties": {
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  "CONTAINER": {
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  "description": "Object storage container for the file",
package/lib/js/schema/workflow/subworkflow.json CHANGED
@@ -77,7 +77,8 @@
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  "required": [
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  "endpoint",
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  "endpoint_options"
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- ]
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+ ],
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+ "additionalProperties": true
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  },
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  {
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  "$schema": "http://json-schema.org/draft-07/schema#",
@@ -96,7 +97,8 @@
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  },
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  "required": [
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  "ids"
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- ]
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+ ],
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+ "additionalProperties": true
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  },
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  {
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  "properties": {
@@ -113,7 +115,8 @@
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  "required": [
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  "collection",
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  "draft"
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- ]
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+ ],
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+ "additionalProperties": true
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  }
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  ]
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  },
@@ -122,20 +125,14 @@
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  "title": "object_storage io schema",
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  "type": "object",
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  "required": [
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- "objectData",
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- "basename"
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+ "objectData"
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  ],
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+ "additionalProperties": true,
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  "properties": {
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  "objectData": {
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  "$schema": "http://json-schema.org/draft-07/schema#",
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  "title": "Object Storage Container Data",
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  "type": "object",
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- "required": [
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- "CONTAINER",
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- "NAME",
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- "PROVIDER",
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- "REGION"
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- ],
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  "properties": {
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  "CONTAINER": {
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  "description": "Object storage container for the file",
@@ -2979,6 +2976,8 @@
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  "type": "integer"
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  },
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  "arguments": {
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+ "description": "Optional arguments specific to using application - VASP, Quantum Espresso, etc. Specified elsewhere",
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+ "default": {},
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  "$schema": "http://json-schema.org/draft-07/schema#",
2983
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  "title": "quantum espresso arguments schema",
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  "type": "object",
package/lib/js/schema/workflow/unit/io/api.json CHANGED
@@ -7,6 +7,7 @@
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  "endpoint",
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  "endpoint_options"
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  ],
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+ "additionalProperties": true,
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  "properties": {
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  "endpoint": {
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  "description": "rest API endpoint",
package/lib/js/schema/workflow/unit/io/db.json CHANGED
@@ -16,7 +16,8 @@
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  },
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  "required": [
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  "ids"
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- ]
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+ ],
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+ "additionalProperties": true
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  },
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  {
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  "properties": {
@@ -33,7 +34,8 @@
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  "required": [
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  "collection",
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  "draft"
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- ]
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+ ],
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+ "additionalProperties": true
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  }
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  ]
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  }
package/lib/js/schema/workflow/unit/io/object_storage.json CHANGED
@@ -4,20 +4,14 @@
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  "title": "object_storage io schema",
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  "type": "object",
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  "required": [
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- "objectData",
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- "basename"
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+ "objectData"
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  ],
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+ "additionalProperties": true,
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  "properties": {
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  "objectData": {
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  "$schema": "http://json-schema.org/draft-07/schema#",
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  "title": "Object Storage Container Data",
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  "type": "object",
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- "required": [
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- "CONTAINER",
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- "NAME",
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- "PROVIDER",
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- "REGION"
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- ],
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  "properties": {
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  "CONTAINER": {
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  "description": "Object storage container for the file",
package/lib/js/schema/workflow/unit/io.json CHANGED
@@ -58,7 +58,8 @@
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  "required": [
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  "endpoint",
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  "endpoint_options"
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- ]
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+ ],
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+ "additionalProperties": true
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  },
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  {
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  "$schema": "http://json-schema.org/draft-07/schema#",
@@ -77,7 +78,8 @@
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  },
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  "required": [
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  "ids"
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- ]
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+ ],
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+ "additionalProperties": true
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  },
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  {
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  "properties": {
@@ -94,7 +96,8 @@
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  "required": [
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  "collection",
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  "draft"
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- ]
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+ ],
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+ "additionalProperties": true
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  }
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  ]
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  },
@@ -103,20 +106,14 @@
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  "title": "object_storage io schema",
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  "type": "object",
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  "required": [
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- "objectData",
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- "basename"
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+ "objectData"
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  ],
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+ "additionalProperties": true,
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  "properties": {
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  "objectData": {
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  "$schema": "http://json-schema.org/draft-07/schema#",
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  "title": "Object Storage Container Data",
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  "type": "object",
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- "required": [
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- "CONTAINER",
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- "NAME",
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- "PROVIDER",
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- "REGION"
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- ],
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  "properties": {
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  "CONTAINER": {
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  "description": "Object storage container for the file",
package/lib/js/schema/workflow/unit.json CHANGED
@@ -63,7 +63,8 @@
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  "required": [
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  "endpoint",
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  "endpoint_options"
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- ]
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+ ],
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+ "additionalProperties": true
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  },
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  {
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  "$schema": "http://json-schema.org/draft-07/schema#",
@@ -82,7 +83,8 @@
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  },
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  "required": [
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  "ids"
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- ]
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+ ],
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+ "additionalProperties": true
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  },
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  {
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  "properties": {
@@ -99,7 +101,8 @@
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  "required": [
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  "collection",
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  "draft"
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- ]
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+ ],
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+ "additionalProperties": true
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  }
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  ]
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  },
@@ -108,20 +111,14 @@
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  "title": "object_storage io schema",
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  "type": "object",
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  "required": [
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- "objectData",
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- "basename"
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+ "objectData"
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  ],
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+ "additionalProperties": true,
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  "properties": {
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  "objectData": {
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  "$schema": "http://json-schema.org/draft-07/schema#",
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  "title": "Object Storage Container Data",
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  "type": "object",
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- "required": [
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- "CONTAINER",
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- "NAME",
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- "PROVIDER",
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- "REGION"
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- ],
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  "properties": {
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  "CONTAINER": {
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  "description": "Object storage container for the file",
package/lib/js/schema/workflow.json CHANGED
@@ -89,7 +89,8 @@
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  "required": [
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  "endpoint",
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  "endpoint_options"
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- ]
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+ ],
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+ "additionalProperties": true
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  },
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  {
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  "$schema": "http://json-schema.org/draft-07/schema#",
@@ -108,7 +109,8 @@
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  },
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  "required": [
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  "ids"
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- ]
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+ ],
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+ "additionalProperties": true
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  },
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  {
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  "properties": {
@@ -125,7 +127,8 @@
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  "required": [
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  "collection",
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  "draft"
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- ]
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+ ],
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+ "additionalProperties": true
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  }
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  ]
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  },
@@ -134,20 +137,14 @@
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  "title": "object_storage io schema",
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  "type": "object",
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  "required": [
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- "objectData",
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- "basename"
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+ "objectData"
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141
  ],
142
+ "additionalProperties": true,
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  "properties": {
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  "objectData": {
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  "$schema": "http://json-schema.org/draft-07/schema#",
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  "title": "Object Storage Container Data",
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  "type": "object",
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- "required": [
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- "CONTAINER",
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- "NAME",
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- "PROVIDER",
149
- "REGION"
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- ],
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  "properties": {
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  "CONTAINER": {
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  "description": "Object storage container for the file",
@@ -2991,6 +2988,8 @@
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  "type": "integer"
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  },
2993
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  "arguments": {
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+ "description": "Optional arguments specific to using application - VASP, Quantum Espresso, etc. Specified elsewhere",
2992
+ "default": {},
2994
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  "$schema": "http://json-schema.org/draft-07/schema#",
2995
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  "title": "quantum espresso arguments schema",
2996
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  "type": "object",
@@ -3165,7 +3164,8 @@
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  "required": [
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  "endpoint",
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  "endpoint_options"
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- ]
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+ ],
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+ "additionalProperties": true
3169
3169
  },
3170
3170
  {
3171
3171
  "$schema": "http://json-schema.org/draft-07/schema#",
@@ -3184,7 +3184,8 @@
3184
3184
  },
3185
3185
  "required": [
3186
3186
  "ids"
3187
- ]
3187
+ ],
3188
+ "additionalProperties": true
3188
3189
  },
3189
3190
  {
3190
3191
  "properties": {
@@ -3201,7 +3202,8 @@
3201
3202
  "required": [
3202
3203
  "collection",
3203
3204
  "draft"
3204
- ]
3205
+ ],
3206
+ "additionalProperties": true
3205
3207
  }
3206
3208
  ]
3207
3209
  },
@@ -3210,20 +3212,14 @@
3210
3212
  "title": "object_storage io schema",
3211
3213
  "type": "object",
3212
3214
  "required": [
3213
- "objectData",
3214
- "basename"
3215
+ "objectData"
3215
3216
  ],
3217
+ "additionalProperties": true,
3216
3218
  "properties": {
3217
3219
  "objectData": {
3218
3220
  "$schema": "http://json-schema.org/draft-07/schema#",
3219
3221
  "title": "Object Storage Container Data",
3220
3222
  "type": "object",
3221
- "required": [
3222
- "CONTAINER",
3223
- "NAME",
3224
- "PROVIDER",
3225
- "REGION"
3226
- ],
3227
3223
  "properties": {
3228
3224
  "CONTAINER": {
3229
3225
  "description": "Object storage container for the file",