@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.
Files changed (56) 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/enum_options.json +2 -0
  4. package/dist/js/schema/properties_directory/non_scalar/workflow.json +120 -18
  5. package/dist/js/schema/properties_directory/scalar/homo_energy.json +42 -0
  6. package/dist/js/schema/properties_directory/scalar/lumo_energy.json +42 -0
  7. package/dist/js/schema/property/holder.json +202 -18
  8. package/dist/js/schema/software/application/build_config.json +39 -0
  9. package/dist/js/schema/software/application.json +5 -6
  10. package/dist/js/schema/software/application_with_build_config.json +95 -0
  11. package/dist/js/schema/software/executable.json +4 -0
  12. package/dist/js/schema/software/flavor.json +4 -0
  13. package/dist/js/schema/software/template.json +1 -0
  14. package/dist/js/schema/software_directory/modeling/deepmd.json +5 -6
  15. package/dist/js/schema/software_directory/modeling/nwchem.json +5 -6
  16. package/dist/js/schema/software_directory/modeling/unit/execution.json +17 -6
  17. package/dist/js/schema/software_directory/modeling/vasp.json +5 -6
  18. package/dist/js/schema/software_directory/scripting/jupyter_lab.json +5 -6
  19. package/dist/js/schema/software_directory/scripting/python.json +5 -6
  20. package/dist/js/schema/software_directory/scripting/shell.json +5 -6
  21. package/dist/js/schema/software_directory/scripting/unit/execution.json +17 -6
  22. package/dist/js/schema/workflow/base.json +21 -0
  23. package/dist/js/schema/workflow/subworkflow/unit.json +41 -6
  24. package/dist/js/schema/workflow/subworkflow.json +50 -12
  25. package/dist/js/schema/workflow/unit/assertion.json +4 -0
  26. package/dist/js/schema/workflow/unit/assignment.json +4 -0
  27. package/dist/js/schema/workflow/unit/base.json +4 -0
  28. package/dist/js/schema/workflow/unit/condition.json +4 -0
  29. package/dist/js/schema/workflow/unit/execution.json +17 -6
  30. package/dist/js/schema/workflow/unit/io.json +4 -0
  31. package/dist/js/schema/workflow/unit/map.json +4 -0
  32. package/dist/js/schema/workflow/unit/processing.json +4 -0
  33. package/dist/js/schema/workflow/unit/reduce.json +4 -0
  34. package/dist/js/schema/workflow/unit/runtime/_runtime_item_name_object.json +1 -0
  35. package/dist/js/schema/workflow/unit/runtime/runtime_item.json +1 -0
  36. package/dist/js/schema/workflow/unit/runtime/runtime_items.json +4 -0
  37. package/dist/js/schema/workflow/unit/subworkflow.json +4 -0
  38. package/dist/js/schema/workflow/unit.json +49 -6
  39. package/dist/js/schema/workflow.json +120 -18
  40. package/dist/js/schemas.json +1 -1
  41. package/dist/js/types.d.ts +863 -128
  42. package/dist/js/utils/ajv.d.ts +4 -2
  43. package/dist/js/utils/ajv.js +22 -7
  44. package/manifest/properties.yaml +12 -0
  45. package/package.json +2 -2
  46. package/schema/properties_directory/enum_options.json +2 -0
  47. package/schema/properties_directory/scalar/homo_energy.json +21 -0
  48. package/schema/properties_directory/scalar/lumo_energy.json +21 -0
  49. package/schema/property/holder.json +6 -0
  50. package/schema/software/application/build_config.json +39 -0
  51. package/schema/software/application.json +5 -2
  52. package/schema/software/application_with_build_config.json +18 -0
  53. package/schema/workflow/base.json +21 -0
  54. package/schema/workflow/subworkflow.json +4 -0
  55. package/schema/workflow/unit/runtime/_runtime_item_name_object.json +1 -0
  56. package/src/js/utils/ajv.ts +27 -7
package/dist/js/schema/properties_directory/scalar/homo_energy.json ADDED
@@ -0,0 +1,42 @@
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+ {
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+ "$id": "properties-directory/scalar/homo-energy",
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+ "$schema": "http://json-schema.org/draft-07/schema#",
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+ "title": "HOMO energy 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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+ "homo_energy"
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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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+ "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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+ }
package/dist/js/schema/properties_directory/scalar/lumo_energy.json ADDED
@@ -0,0 +1,42 @@
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+ {
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+ "$id": "properties-directory/scalar/lumo-energy",
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+ "$schema": "http://json-schema.org/draft-07/schema#",
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+ "title": "LUMO energy 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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+ "lumo_energy"
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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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+ "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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+ }