@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
@@ -274,6 +274,7 @@
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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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  "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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  "type": "string"
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  }
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+ "additionalProperties": true,
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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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  },
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+ "additionalProperties": true,
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  "required": [
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  "name"
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  "type": "string"
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  }
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+ "additionalProperties": true,
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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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  },
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+ "additionalProperties": true,
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  "required": [
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  "name"
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  "type": "string"
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+ "additionalProperties": true,
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+ "additionalProperties": true,
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  "type": "string"
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+ "additionalProperties": true,
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+ "additionalProperties": true,
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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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  "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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+ "additionalProperties": true,
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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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  "$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",
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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"
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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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  }
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+ "additionalProperties": true,
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+ "additionalProperties": true,
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+ "additionalProperties": true,
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+ "additionalProperties": true,
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+ "additionalProperties": true,
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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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  "name": {
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+ "systemName": {
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  "_id": {
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+ "additionalProperties": true,
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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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+ "type": "boolean",
3860
+ "default": false
3861
+ },
3804
3862
  "hasAdvancedComputeOptions": {
3805
3863
  "description": "Whether advanced compute options are present",
3806
3864
  "type": "boolean"
@@ -3828,11 +3886,6 @@
3828
3886
  "name": {
3829
3887
  "description": "entity name",
3830
3888
  "type": "string"
3831
- },
3832
- "isDefault": {
3833
- "description": "Identifies that entity is defaultable",
3834
- "type": "boolean",
3835
- "default": false
3836
3889
  }
3837
3890
  }
3838
3891
  },
@@ -3901,6 +3954,7 @@
3901
3954
  "type": "string"
3902
3955
  }
3903
3956
  },
3957
+ "additionalProperties": true,
3904
3958
  "required": [
3905
3959
  "name"
3906
3960
  ]
@@ -3931,6 +3985,7 @@
3931
3985
  "type": "string"
3932
3986
  }
3933
3987
  },
3988
+ "additionalProperties": true,
3934
3989
  "required": [
3935
3990
  "name"
3936
3991
  ]
@@ -3961,6 +4016,7 @@
3961
4016
  "type": "string"
3962
4017
  }
3963
4018
  },
4019
+ "additionalProperties": true,
3964
4020
  "required": [
3965
4021
  "name"
3966
4022
  ]
@@ -3991,6 +4047,7 @@
3991
4047
  "type": "string"
3992
4048
  }
3993
4049
  },
4050
+ "additionalProperties": true,
3994
4051
  "required": [
3995
4052
  "name"
3996
4053
  ]
@@ -4094,6 +4151,7 @@
4094
4151
  "type": "string"
4095
4152
  }
4096
4153
  },
4154
+ "additionalProperties": true,
4097
4155
  "required": [
4098
4156
  "name"
4099
4157
  ]
@@ -4124,6 +4182,7 @@
4124
4182
  "type": "string"
4125
4183
  }
4126
4184
  },
4185
+ "additionalProperties": true,
4127
4186
  "required": [
4128
4187
  "name"
4129
4188
  ]
@@ -4154,6 +4213,7 @@
4154
4213
  "type": "string"
4155
4214
  }
4156
4215
  },
4216
+ "additionalProperties": true,
4157
4217
  "required": [
4158
4218
  "name"
4159
4219
  ]
@@ -4184,6 +4244,7 @@
4184
4244
  "type": "string"
4185
4245
  }
4186
4246
  },
4247
+ "additionalProperties": true,
4187
4248
  "required": [
4188
4249
  "name"
4189
4250
  ]
@@ -4277,6 +4338,7 @@
4277
4338
  "type": "string"
4278
4339
  }
4279
4340
  },
4341
+ "additionalProperties": true,
4280
4342
  "required": [
4281
4343
  "name"
4282
4344
  ]
@@ -4307,6 +4369,7 @@
4307
4369
  "type": "string"
4308
4370
  }
4309
4371
  },
4372
+ "additionalProperties": true,
4310
4373
  "required": [
4311
4374
  "name"
4312
4375
  ]
@@ -4337,6 +4400,7 @@
4337
4400
  "type": "string"
4338
4401
  }
4339
4402
  },
4403
+ "additionalProperties": true,
4340
4404
  "required": [
4341
4405
  "name"
4342
4406
  ]
@@ -4367,6 +4431,7 @@
4367
4431
  "type": "string"
4368
4432
  }
4369
4433
  },
4434
+ "additionalProperties": true,
4370
4435
  "required": [
4371
4436
  "name"
4372
4437
  ]
@@ -4544,6 +4609,7 @@
4544
4609
  "type": "string"
4545
4610
  }
4546
4611
  },
4612
+ "additionalProperties": true,
4547
4613
  "required": [
4548
4614
  "name"
4549
4615
  ]
@@ -4574,6 +4640,7 @@
4574
4640
  "type": "string"
4575
4641
  }
4576
4642
  },
4643
+ "additionalProperties": true,
4577
4644
  "required": [
4578
4645
  "name"
4579
4646
  ]
@@ -4604,6 +4671,7 @@
4604
4671
  "type": "string"
4605
4672
  }
4606
4673
  },
4674
+ "additionalProperties": true,
4607
4675
  "required": [
4608
4676
  "name"
4609
4677
  ]
@@ -4634,6 +4702,7 @@
4634
4702
  "type": "string"
4635
4703
  }
4636
4704
  },
4705
+ "additionalProperties": true,
4637
4706
  "required": [
4638
4707
  "name"
4639
4708
  ]
@@ -4784,6 +4853,7 @@
4784
4853
  "type": "string"
4785
4854
  }
4786
4855
  },
4856
+ "additionalProperties": true,
4787
4857
  "required": [
4788
4858
  "name"
4789
4859
  ]
@@ -4814,6 +4884,7 @@
4814
4884
  "type": "string"
4815
4885
  }
4816
4886
  },
4887
+ "additionalProperties": true,
4817
4888
  "required": [
4818
4889
  "name"
4819
4890
  ]
@@ -4844,6 +4915,7 @@
4844
4915
  "type": "string"
4845
4916
  }
4846
4917
  },
4918
+ "additionalProperties": true,
4847
4919
  "required": [
4848
4920
  "name"
4849
4921
  ]
@@ -4874,6 +4946,7 @@
4874
4946
  "type": "string"
4875
4947
  }
4876
4948
  },
4949
+ "additionalProperties": true,
4877
4950
  "required": [
4878
4951
  "name"
4879
4952
  ]
@@ -5054,6 +5127,7 @@
5054
5127
  "type": "string"
5055
5128
  }
5056
5129
  },
5130
+ "additionalProperties": true,
5057
5131
  "required": [
5058
5132
  "name"
5059
5133
  ]
@@ -5084,6 +5158,7 @@
5084
5158
  "type": "string"
5085
5159
  }
5086
5160
  },
5161
+ "additionalProperties": true,
5087
5162
  "required": [
5088
5163
  "name"
5089
5164
  ]
@@ -5114,6 +5189,7 @@
5114
5189
  "type": "string"
5115
5190
  }
5116
5191
  },
5192
+ "additionalProperties": true,
5117
5193
  "required": [
5118
5194
  "name"
5119
5195
  ]
@@ -5144,6 +5220,7 @@
5144
5220
  "type": "string"
5145
5221
  }
5146
5222
  },
5223
+ "additionalProperties": true,
5147
5224
  "required": [
5148
5225
  "name"
5149
5226
  ]
@@ -5277,6 +5354,7 @@
5277
5354
  "type": "string"
5278
5355
  }
5279
5356
  },
5357
+ "additionalProperties": true,
5280
5358
  "required": [
5281
5359
  "name"
5282
5360
  ]
@@ -5307,6 +5385,7 @@
5307
5385
  "type": "string"
5308
5386
  }
5309
5387
  },
5388
+ "additionalProperties": true,
5310
5389
  "required": [
5311
5390
  "name"
5312
5391
  ]
@@ -5337,6 +5416,7 @@
5337
5416
  "type": "string"
5338
5417
  }
5339
5418
  },
5419
+ "additionalProperties": true,
5340
5420
  "required": [
5341
5421
  "name"
5342
5422
  ]
@@ -5367,6 +5447,7 @@
5367
5447
  "type": "string"
5368
5448
  }
5369
5449
  },
5450
+ "additionalProperties": true,
5370
5451
  "required": [
5371
5452
  "name"
5372
5453
  ]
@@ -5438,6 +5519,10 @@
5438
5519
  "description": "Whether to use the dataset tab in the job designer. Mutually exclusive with using the materials tab.",
5439
5520
  "type": "boolean"
5440
5521
  },
5522
+ "isMultiMaterial": {
5523
+ "description": "Defines whether the workflow is for a multi-material simulation",
5524
+ "type": "boolean"
5525
+ },
5441
5526
  "workflows": {
5442
5527
  "description": "Array of workflows with the same schema as the current one.",
5443
5528
  "type": "array",
@@ -5445,6 +5530,23 @@
5445
5530
  "type": "object"
5446
5531
  }
5447
5532
  },
5533
+ "application": {
5534
+ "description": "information about the main application used for workflow categorization by application in standata.",
5535
+ "type": "object",
5536
+ "properties": {
5537
+ "name": {
5538
+ "description": "name of the application",
5539
+ "type": "string"
5540
+ }
5541
+ }
5542
+ },
5543
+ "tags": {
5544
+ "description": "tags for the workflow",
5545
+ "type": "array",
5546
+ "items": {
5547
+ "type": "string"
5548
+ }
5549
+ },
5448
5550
  "_id": {
5449
5551
  "description": "entity identity",
5450
5552
  "type": "string"