@mat3ra/esse 2026.9.6-1 → 2026.10.25-0

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.
Files changed (30) hide show
  1. package/dist/js/esse/server/utils.js +15 -0
  2. package/dist/js/example/properties_directory/scalar/schottky_barrier_height_n.json +5 -0
  3. package/dist/js/example/properties_directory/scalar/schottky_barrier_height_p.json +5 -0
  4. package/dist/js/schema/compute/nodes/cluster.json +13 -8
  5. package/dist/js/schema/compute/queue.json +13 -8
  6. package/dist/js/schema/compute/queue_name_enum.json +59 -0
  7. package/dist/js/schema/job/base.json +5104 -39
  8. package/dist/js/schema/job/compute.json +13 -8
  9. package/dist/js/schema/job/compute_property.json +13 -8
  10. package/dist/js/schema/job/dataset.json +37 -0
  11. package/dist/js/schema/job.json +182 -62
  12. package/dist/js/schema/properties_directory/enum_options.json +2 -0
  13. package/dist/js/schema/properties_directory/non_scalar/workflow.json +31 -27
  14. package/dist/js/schema/properties_directory/scalar/schottky_barrier_height_n.json +43 -0
  15. package/dist/js/schema/properties_directory/scalar/schottky_barrier_height_p.json +43 -0
  16. package/dist/js/schema/property/holder.json +115 -27
  17. package/dist/js/schema/system/has_project.json +33 -0
  18. package/dist/js/schema/workflow/base.json +17 -18
  19. package/dist/js/schema/workflow/base_flow.json +13 -8
  20. package/dist/js/schema/workflow/subworkflow/mixin.json +17 -18
  21. package/dist/js/schema/workflow/subworkflow/unit.json +4 -10
  22. package/dist/js/schema/workflow/subworkflow.json +17 -18
  23. package/dist/js/schema/workflow/unit/assignment.json +4 -10
  24. package/dist/js/schema/workflow/unit/mixins/assignment.json +4 -10
  25. package/dist/js/schema/workflow.json +31 -27
  26. package/dist/js/schemas.json +1 -1
  27. package/dist/js/types.d.ts +2923 -379
  28. package/dist/js/types.js +33 -1
  29. package/package.json +1 -1
  30. package/dist/js/schema/system/job_extended.json +0 -70
@@ -0,0 +1,43 @@
1
+ {
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+ "$id": "properties-directory/scalar/schottky-barrier-height-p",
3
+ "$schema": "http://json-schema.org/draft-07/schema#",
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+ "title": "Schottky barrier height p-type property schema",
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+ "type": "object",
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+ "required": [
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+ "name",
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+ "units",
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+ "value"
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+ ],
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+ "properties": {
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+ "name": {
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+ "enum": [
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+ "schottky_barrier_height_p"
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+ ],
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+ "type": "string"
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+ },
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+ "units": {
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+ "oneOf": [
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+ {
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+ "enum": [
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+ "kcal/mol",
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+ "kJ/mol",
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+ "eV",
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+ "J/mol",
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+ "hartree",
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+ "cm-1",
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+ "Ry",
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+ "eV/atom"
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+ ]
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+ },
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+ {
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+ "enum": [
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+ "eV/A^2"
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+ ]
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+ }
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+ ]
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+ },
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+ "value": {
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+ "type": "number"
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+ }
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+ }
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+ }
@@ -60,6 +60,90 @@
60
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  }
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  }
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  },
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+ {
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+ "$schema": "http://json-schema.org/draft-07/schema#",
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+ "title": "Schottky barrier height p-type property schema",
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+ "type": "object",
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+ "required": [
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+ "name",
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+ "units",
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+ "value"
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+ ],
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+ "properties": {
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+ "name": {
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+ "enum": [
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+ "schottky_barrier_height_p"
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+ ],
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+ "type": "string"
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+ },
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+ "units": {
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+ "oneOf": [
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+ {
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+ "enum": [
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+ "kcal/mol",
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+ "kJ/mol",
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+ "eV",
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+ "J/mol",
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+ "hartree",
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+ "cm-1",
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+ "Ry",
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+ "eV/atom"
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+ ]
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+ },
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+ {
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+ "enum": [
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+ "eV/A^2"
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+ ]
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+ }
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+ ]
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+ },
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+ "value": {
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+ "type": "number"
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+ }
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+ }
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+ },
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+ {
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+ "$schema": "http://json-schema.org/draft-07/schema#",
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+ "title": "Schottky barrier height n-type property schema",
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+ "type": "object",
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+ "required": [
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+ "name",
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+ "units",
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+ "value"
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+ ],
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+ "properties": {
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+ "name": {
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+ "enum": [
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+ "schottky_barrier_height_n"
118
+ ],
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+ "type": "string"
120
+ },
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+ "units": {
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+ "oneOf": [
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+ {
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+ "enum": [
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+ "kcal/mol",
126
+ "kJ/mol",
127
+ "eV",
128
+ "J/mol",
129
+ "hartree",
130
+ "cm-1",
131
+ "Ry",
132
+ "eV/atom"
133
+ ]
134
+ },
135
+ {
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+ "enum": [
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+ "eV/A^2"
138
+ ]
139
+ }
140
+ ]
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+ },
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+ "value": {
143
+ "type": "number"
144
+ }
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+ }
146
+ },
63
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  {
64
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  "$schema": "http://json-schema.org/draft-07/schema#",
65
149
  "title": "Zero point energy property schema",
@@ -2497,7 +2581,7 @@
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  "type": "string"
2498
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  },
2499
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  "workflows": {
2500
- "description": "Array of workflows with the same schema as the current one.",
2584
+ "description": "Array of workflows with the same schema as the current one. NOTE: items are not validated against the workflow schema itself (known limitation - see server/utils.ts's parseIncludeReferenceStatements for why, and consider fixing).",
2501
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  "type": "array",
2502
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  "items": {
2503
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  "type": "object"
@@ -2516,29 +2600,34 @@
2516
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  ],
2517
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  "properties": {
2518
2602
  "queue": {
2519
- "description": "Name of the submission queues: https://docs.mat3ra.com/infrastructure/resource/queues/. Below enums are for Azure, then AWS circa 2022-08, hence the duplication.",
2603
+ "description": "Name of the submission queue: https://docs.mat3ra.com/infrastructure/resource/queues/.",
2520
2604
  "type": "string",
2521
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  "enum": [
2522
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  "D",
2523
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  "OR",
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- "OF",
2525
- "OFplus",
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- "SR",
2527
- "SF",
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- "SFplus",
2529
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  "OR4",
2530
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  "OR8",
2531
2610
  "OR16",
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+ "SR",
2532
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  "SR4",
2533
2613
  "SR8",
2534
2614
  "SR16",
2615
+ "OF",
2616
+ "OFplus",
2617
+ "SF",
2618
+ "SFplus",
2535
2619
  "GOF",
2536
2620
  "G4OF",
2537
2621
  "G8OF",
2622
+ "GP4OF",
2538
2623
  "GSF",
2539
2624
  "G4SF",
2540
- "G8SF"
2541
- ]
2625
+ "G8SF",
2626
+ "GPSF",
2627
+ "GP2SF",
2628
+ "GP4SF"
2629
+ ],
2630
+ "tsType": "QueueNameEnum"
2542
2631
  },
2543
2632
  "nodes": {
2544
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  "description": "number of nodes used for the job inside the RMS.",
@@ -2765,29 +2854,34 @@
2765
2854
  ],
2766
2855
  "properties": {
2767
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  "queue": {
2768
- "description": "Name of the submission queues: https://docs.mat3ra.com/infrastructure/resource/queues/. Below enums are for Azure, then AWS circa 2022-08, hence the duplication.",
2857
+ "description": "Name of the submission queue: https://docs.mat3ra.com/infrastructure/resource/queues/.",
2769
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  "type": "string",
2770
2859
  "enum": [
2771
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  "D",
2772
2861
  "OR",
2773
- "OF",
2774
- "OFplus",
2775
- "SR",
2776
- "SF",
2777
- "SFplus",
2778
2862
  "OR4",
2779
2863
  "OR8",
2780
2864
  "OR16",
2865
+ "SR",
2781
2866
  "SR4",
2782
2867
  "SR8",
2783
2868
  "SR16",
2869
+ "OF",
2870
+ "OFplus",
2871
+ "SF",
2872
+ "SFplus",
2784
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  "GOF",
2785
2874
  "G4OF",
2786
2875
  "G8OF",
2876
+ "GP4OF",
2787
2877
  "GSF",
2788
2878
  "G4SF",
2789
- "G8SF"
2790
- ]
2879
+ "G8SF",
2880
+ "GPSF",
2881
+ "GP2SF",
2882
+ "GP4SF"
2883
+ ],
2884
+ "tsType": "QueueNameEnum"
2791
2885
  },
2792
2886
  "nodes": {
2793
2887
  "description": "number of nodes used for the job inside the RMS.",
@@ -6019,16 +6113,10 @@
6019
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  },
6020
6114
  "value": {
6021
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  "description": "Value of the variable. The value content could be a simple integer, string or a python expression. e.g. '0' (initialization), 'sin(x)+1' (expression)",
6022
- "oneOf": [
6023
- {
6024
- "type": "string"
6025
- },
6026
- {
6027
- "type": "boolean"
6028
- },
6029
- {
6030
- "type": "number"
6031
- }
6116
+ "type": [
6117
+ "string",
6118
+ "boolean",
6119
+ "number"
6032
6120
  ]
6033
6121
  }
6034
6122
  }
@@ -0,0 +1,33 @@
1
+ {
2
+ "$id": "system/has-project",
3
+ "$schema": "http://json-schema.org/draft-07/schema#",
4
+ "title": "Has project schema",
5
+ "type": "object",
6
+ "required": [
7
+ "_project"
8
+ ],
9
+ "properties": {
10
+ "_project": {
11
+ "$schema": "http://json-schema.org/draft-07/schema#",
12
+ "title": "entity reference schema",
13
+ "type": "object",
14
+ "required": [
15
+ "_id"
16
+ ],
17
+ "properties": {
18
+ "_id": {
19
+ "description": "entity identity",
20
+ "type": "string"
21
+ },
22
+ "cls": {
23
+ "description": "entity class",
24
+ "type": "string"
25
+ },
26
+ "slug": {
27
+ "description": "entity slug",
28
+ "type": "string"
29
+ }
30
+ }
31
+ }
32
+ }
33
+ }
@@ -81,29 +81,34 @@
81
81
  ],
82
82
  "properties": {
83
83
  "queue": {
84
- "description": "Name of the submission queues: https://docs.mat3ra.com/infrastructure/resource/queues/. Below enums are for Azure, then AWS circa 2022-08, hence the duplication.",
84
+ "description": "Name of the submission queue: https://docs.mat3ra.com/infrastructure/resource/queues/.",
85
85
  "type": "string",
86
86
  "enum": [
87
87
  "D",
88
88
  "OR",
89
- "OF",
90
- "OFplus",
91
- "SR",
92
- "SF",
93
- "SFplus",
94
89
  "OR4",
95
90
  "OR8",
96
91
  "OR16",
92
+ "SR",
97
93
  "SR4",
98
94
  "SR8",
99
95
  "SR16",
96
+ "OF",
97
+ "OFplus",
98
+ "SF",
99
+ "SFplus",
100
100
  "GOF",
101
101
  "G4OF",
102
102
  "G8OF",
103
+ "GP4OF",
103
104
  "GSF",
104
105
  "G4SF",
105
- "G8SF"
106
- ]
106
+ "G8SF",
107
+ "GPSF",
108
+ "GP2SF",
109
+ "GP4SF"
110
+ ],
111
+ "tsType": "QueueNameEnum"
107
112
  },
108
113
  "nodes": {
109
114
  "description": "number of nodes used for the job inside the RMS.",
@@ -3335,16 +3340,10 @@
3335
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  },
3336
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  "value": {
3337
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  "description": "Value of the variable. The value content could be a simple integer, string or a python expression. e.g. '0' (initialization), 'sin(x)+1' (expression)",
3338
- "oneOf": [
3339
- {
3340
- "type": "string"
3341
- },
3342
- {
3343
- "type": "boolean"
3344
- },
3345
- {
3346
- "type": "number"
3347
- }
3343
+ "type": [
3344
+ "string",
3345
+ "boolean",
3346
+ "number"
3348
3347
  ]
3349
3348
  }
3350
3349
  }
@@ -37,29 +37,34 @@
37
37
  ],
38
38
  "properties": {
39
39
  "queue": {
40
- "description": "Name of the submission queues: https://docs.mat3ra.com/infrastructure/resource/queues/. Below enums are for Azure, then AWS circa 2022-08, hence the duplication.",
40
+ "description": "Name of the submission queue: https://docs.mat3ra.com/infrastructure/resource/queues/.",
41
41
  "type": "string",
42
42
  "enum": [
43
43
  "D",
44
44
  "OR",
45
- "OF",
46
- "OFplus",
47
- "SR",
48
- "SF",
49
- "SFplus",
50
45
  "OR4",
51
46
  "OR8",
52
47
  "OR16",
48
+ "SR",
53
49
  "SR4",
54
50
  "SR8",
55
51
  "SR16",
52
+ "OF",
53
+ "OFplus",
54
+ "SF",
55
+ "SFplus",
56
56
  "GOF",
57
57
  "G4OF",
58
58
  "G8OF",
59
+ "GP4OF",
59
60
  "GSF",
60
61
  "G4SF",
61
- "G8SF"
62
- ]
62
+ "G8SF",
63
+ "GPSF",
64
+ "GP2SF",
65
+ "GP4SF"
66
+ ],
67
+ "tsType": "QueueNameEnum"
63
68
  },
64
69
  "nodes": {
65
70
  "description": "number of nodes used for the job inside the RMS.",
@@ -31,29 +31,34 @@
31
31
  ],
32
32
  "properties": {
33
33
  "queue": {
34
- "description": "Name of the submission queues: https://docs.mat3ra.com/infrastructure/resource/queues/. Below enums are for Azure, then AWS circa 2022-08, hence the duplication.",
34
+ "description": "Name of the submission queue: https://docs.mat3ra.com/infrastructure/resource/queues/.",
35
35
  "type": "string",
36
36
  "enum": [
37
37
  "D",
38
38
  "OR",
39
- "OF",
40
- "OFplus",
41
- "SR",
42
- "SF",
43
- "SFplus",
44
39
  "OR4",
45
40
  "OR8",
46
41
  "OR16",
42
+ "SR",
47
43
  "SR4",
48
44
  "SR8",
49
45
  "SR16",
46
+ "OF",
47
+ "OFplus",
48
+ "SF",
49
+ "SFplus",
50
50
  "GOF",
51
51
  "G4OF",
52
52
  "G8OF",
53
+ "GP4OF",
53
54
  "GSF",
54
55
  "G4SF",
55
- "G8SF"
56
- ]
56
+ "G8SF",
57
+ "GPSF",
58
+ "GP2SF",
59
+ "GP4SF"
60
+ ],
61
+ "tsType": "QueueNameEnum"
57
62
  },
58
63
  "nodes": {
59
64
  "description": "number of nodes used for the job inside the RMS.",
@@ -3285,16 +3290,10 @@
3285
3290
  },
3286
3291
  "value": {
3287
3292
  "description": "Value of the variable. The value content could be a simple integer, string or a python expression. e.g. '0' (initialization), 'sin(x)+1' (expression)",
3288
- "oneOf": [
3289
- {
3290
- "type": "string"
3291
- },
3292
- {
3293
- "type": "boolean"
3294
- },
3295
- {
3296
- "type": "number"
3297
- }
3293
+ "type": [
3294
+ "string",
3295
+ "boolean",
3296
+ "number"
3298
3297
  ]
3299
3298
  }
3300
3299
  }
@@ -3092,16 +3092,10 @@
3092
3092
  },
3093
3093
  "value": {
3094
3094
  "description": "Value of the variable. The value content could be a simple integer, string or a python expression. e.g. '0' (initialization), 'sin(x)+1' (expression)",
3095
- "oneOf": [
3096
- {
3097
- "type": "string"
3098
- },
3099
- {
3100
- "type": "boolean"
3101
- },
3102
- {
3103
- "type": "number"
3104
- }
3095
+ "type": [
3096
+ "string",
3097
+ "boolean",
3098
+ "number"
3105
3099
  ]
3106
3100
  }
3107
3101
  }
@@ -52,29 +52,34 @@
52
52
  ],
53
53
  "properties": {
54
54
  "queue": {
55
- "description": "Name of the submission queues: https://docs.mat3ra.com/infrastructure/resource/queues/. Below enums are for Azure, then AWS circa 2022-08, hence the duplication.",
55
+ "description": "Name of the submission queue: https://docs.mat3ra.com/infrastructure/resource/queues/.",
56
56
  "type": "string",
57
57
  "enum": [
58
58
  "D",
59
59
  "OR",
60
- "OF",
61
- "OFplus",
62
- "SR",
63
- "SF",
64
- "SFplus",
65
60
  "OR4",
66
61
  "OR8",
67
62
  "OR16",
63
+ "SR",
68
64
  "SR4",
69
65
  "SR8",
70
66
  "SR16",
67
+ "OF",
68
+ "OFplus",
69
+ "SF",
70
+ "SFplus",
71
71
  "GOF",
72
72
  "G4OF",
73
73
  "G8OF",
74
+ "GP4OF",
74
75
  "GSF",
75
76
  "G4SF",
76
- "G8SF"
77
- ]
77
+ "G8SF",
78
+ "GPSF",
79
+ "GP2SF",
80
+ "GP4SF"
81
+ ],
82
+ "tsType": "QueueNameEnum"
78
83
  },
79
84
  "nodes": {
80
85
  "description": "number of nodes used for the job inside the RMS.",
@@ -3306,16 +3311,10 @@
3306
3311
  },
3307
3312
  "value": {
3308
3313
  "description": "Value of the variable. The value content could be a simple integer, string or a python expression. e.g. '0' (initialization), 'sin(x)+1' (expression)",
3309
- "oneOf": [
3310
- {
3311
- "type": "string"
3312
- },
3313
- {
3314
- "type": "boolean"
3315
- },
3316
- {
3317
- "type": "number"
3318
- }
3314
+ "type": [
3315
+ "string",
3316
+ "boolean",
3317
+ "number"
3319
3318
  ]
3320
3319
  }
3321
3320
  }
@@ -212,16 +212,10 @@
212
212
  },
213
213
  "value": {
214
214
  "description": "Value of the variable. The value content could be a simple integer, string or a python expression. e.g. '0' (initialization), 'sin(x)+1' (expression)",
215
- "oneOf": [
216
- {
217
- "type": "string"
218
- },
219
- {
220
- "type": "boolean"
221
- },
222
- {
223
- "type": "number"
224
- }
215
+ "type": [
216
+ "string",
217
+ "boolean",
218
+ "number"
225
219
  ]
226
220
  }
227
221
  }
@@ -41,16 +41,10 @@
41
41
  },
42
42
  "value": {
43
43
  "description": "Value of the variable. The value content could be a simple integer, string or a python expression. e.g. '0' (initialization), 'sin(x)+1' (expression)",
44
- "oneOf": [
45
- {
46
- "type": "string"
47
- },
48
- {
49
- "type": "boolean"
50
- },
51
- {
52
- "type": "number"
53
- }
44
+ "type": [
45
+ "string",
46
+ "boolean",
47
+ "number"
54
48
  ]
55
49
  }
56
50
  }