@mat3ra/esse 2026.5.18-2 → 2026.5.27-0

package/dist/js/schema/software/application.json

@@ -1,9 +1,41 @@
 {
     "$id": "software/application",
     "$schema": "http://json-schema.org/draft-07/schema#",
-    "title": "application schema (base)",
+    "title": "application schema",
     "type": "object",
+    "required": [
+        "build",
+        "name",
+        "shortName",
+        "summary",
+        "version"
+    ],
     "properties": {
+        "_id": {
+            "description": "entity identity",
+            "type": "string"
+        },
+        "slug": {
+            "description": "entity slug",
+            "type": "string"
+        },
+        "systemName": {
+            "type": "string"
+        },
+        "schemaVersion": {
+            "description": "entity's schema version. Used to distinct between different schemas.",
+            "type": "string",
+            "default": "2022.8.16"
+        },
+        "name": {
+            "description": "entity name",
+            "type": "string"
+        },
+        "isDefault": {
+            "description": "Identifies that entity is defaultable",
+            "type": "boolean",
+            "default": false
+        },
         "shortName": {
             "description": "The short name of the application. e.g. qe",
             "type": "string"
@@ -20,10 +52,9 @@
             "description": "Application build. e.g. VTST",
             "type": "string"
         },
-        "isDefault": {
-            "description": "Whether the build is the default build",
-            "type": "boolean",
-            "default": false
+        "isDefaultVersion": {
+            "description": "Whether the version is the default version",
+            "type": "boolean"
         },
         "hasAdvancedComputeOptions": {
             "description": "Whether advanced compute options are present",
@@ -37,25 +68,23 @@
             "description": "Whether the application is using (being passed during a downstream processing routine) a material structure.",
             "type": "boolean"
         },
-        "_id": {
-            "description": "entity identity",
-            "type": "string"
-        },
-        "slug": {
-            "description": "entity slug",
-            "type": "string"
-        },
-        "systemName": {
-            "type": "string"
-        },
-        "schemaVersion": {
-            "description": "entity's schema version. Used to distinct between different schemas.",
-            "type": "string",
-            "default": "2022.8.16"
-        },
-        "name": {
-            "description": "entity name",
-            "type": "string"
+        "runConfig": {
+            "description": "The run configuration of the application",
+            "type": "object",
+            "required": [
+                "commandTemplate",
+                "outFileName"
+            ],
+            "properties": {
+                "commandTemplate": {
+                    "description": "The command template of the application",
+                    "type": "string"
+                },
+                "outFileName": {
+                    "description": "The output file name of the application",
+                    "type": "string"
+                }
+            }
         }
     }
 }

package/dist/js/schema/software/application_properties.json

@@ -0,0 +1,68 @@
+{
+    "$id": "software/application-properties",
+    "$schema": "http://json-schema.org/draft-07/schema#",
+    "title": "application properties schema",
+    "type": "object",
+    "required": [
+        "shortName",
+        "summary",
+        "version",
+        "build"
+    ],
+    "properties": {
+        "shortName": {
+            "description": "The short name of the application. e.g. qe",
+            "type": "string"
+        },
+        "summary": {
+            "description": "Application's short description.",
+            "type": "string"
+        },
+        "version": {
+            "description": "Application version. e.g. 5.3.5",
+            "type": "string"
+        },
+        "build": {
+            "description": "Application build. e.g. VTST",
+            "type": "string"
+        },
+        "isDefault": {
+            "description": "Whether the build is the default build",
+            "type": "boolean"
+        },
+        "isDefaultVersion": {
+            "description": "Whether the version is the default version",
+            "type": "boolean"
+        },
+        "hasAdvancedComputeOptions": {
+            "description": "Whether advanced compute options are present",
+            "type": "boolean"
+        },
+        "isLicensed": {
+            "description": "Whether licensing is present",
+            "type": "boolean"
+        },
+        "isUsingMaterial": {
+            "description": "Whether the application is using (being passed during a downstream processing routine) a material structure.",
+            "type": "boolean"
+        },
+        "runConfig": {
+            "description": "The run configuration of the application",
+            "type": "object",
+            "required": [
+                "commandTemplate",
+                "outFileName"
+            ],
+            "properties": {
+                "commandTemplate": {
+                    "description": "The command template of the application",
+                    "type": "string"
+                },
+                "outFileName": {
+                    "description": "The output file name of the application",
+                    "type": "string"
+                }
+            }
+        }
+    }
+}

package/dist/js/schema/software/application_with_build_config.json

@@ -3,6 +3,13 @@
     "$schema": "http://json-schema.org/draft-07/schema#",
     "title": "application with build config schema",
     "type": "object",
+    "required": [
+        "build",
+        "name",
+        "shortName",
+        "summary",
+        "version"
+    ],
     "properties": {
         "buildConfig": {
             "$schema": "http://json-schema.org/draft-07/schema#",
@@ -42,6 +49,31 @@
                 }
             }
         },
+        "_id": {
+            "description": "entity identity",
+            "type": "string"
+        },
+        "slug": {
+            "description": "entity slug",
+            "type": "string"
+        },
+        "systemName": {
+            "type": "string"
+        },
+        "schemaVersion": {
+            "description": "entity's schema version. Used to distinct between different schemas.",
+            "type": "string",
+            "default": "2022.8.16"
+        },
+        "name": {
+            "description": "entity name",
+            "type": "string"
+        },
+        "isDefault": {
+            "description": "Identifies that entity is defaultable",
+            "type": "boolean",
+            "default": false
+        },
         "shortName": {
             "description": "The short name of the application. e.g. qe",
             "type": "string"
@@ -58,10 +90,9 @@
             "description": "Application build. e.g. VTST",
             "type": "string"
         },
-        "isDefault": {
-            "description": "Whether the build is the default build",
-            "type": "boolean",
-            "default": false
+        "isDefaultVersion": {
+            "description": "Whether the version is the default version",
+            "type": "boolean"
         },
         "hasAdvancedComputeOptions": {
             "description": "Whether advanced compute options are present",
@@ -75,25 +106,23 @@
             "description": "Whether the application is using (being passed during a downstream processing routine) a material structure.",
             "type": "boolean"
         },
-        "_id": {
-            "description": "entity identity",
-            "type": "string"
-        },
-        "slug": {
-            "description": "entity slug",
-            "type": "string"
-        },
-        "systemName": {
-            "type": "string"
-        },
-        "schemaVersion": {
-            "description": "entity's schema version. Used to distinct between different schemas.",
-            "type": "string",
-            "default": "2022.8.16"
-        },
-        "name": {
-            "description": "entity name",
-            "type": "string"
+        "runConfig": {
+            "description": "The run configuration of the application",
+            "type": "object",
+            "required": [
+                "commandTemplate",
+                "outFileName"
+            ],
+            "properties": {
+                "commandTemplate": {
+                    "description": "The command template of the application",
+                    "type": "string"
+                },
+                "outFileName": {
+                    "description": "The output file name of the application",
+                    "type": "string"
+                }
+            }
         }
     }
 }

package/dist/js/schema/software/executable.json

@@ -4,28 +4,15 @@
     "title": "executable schema",
     "type": "object",
     "required": [
-        "name"
+        "applicationName",
+        "applicationVersion",
+        "monitors",
+        "name",
+        "postProcessors",
+        "preProcessors",
+        "results"
     ],
     "properties": {
-        "name": {
-            "description": "The name of the executable. e.g. pw.x",
-            "type": "string"
-        },
-        "applicationId": {
-            "description": "_ids of the application this executable belongs to",
-            "type": "array",
-            "items": {
-                "type": "string"
-            }
-        },
-        "applicationName": {
-            "description": "name of the application this executable belongs to",
-            "type": "string"
-        },
-        "hasAdvancedComputeOptions": {
-            "description": "Whether advanced compute options are present",
-            "type": "boolean"
-        },
         "_id": {
             "description": "entity identity",
             "type": "string"
@@ -42,6 +29,10 @@
             "type": "string",
             "default": "2022.8.16"
         },
+        "name": {
+            "description": "entity name",
+            "type": "string"
+        },
         "isDefault": {
             "description": "Identifies that entity is defaultable",
             "type": "boolean",
@@ -52,30 +43,19 @@
             "type": "array",
             "items": {
                 "$schema": "http://json-schema.org/draft-07/schema#",
-                "title": "runtime item schema",
-                "oneOf": [
-                    {
-                        "$schema": "http://json-schema.org/draft-07/schema#",
-                        "title": "name result schema",
-                        "type": "object",
-                        "properties": {
-                            "name": {
-                                "description": "The name of this item. e.g. scf_accuracy",
-                                "type": "string"
-                            }
-                        },
-                        "additionalProperties": true,
-                        "required": [
-                            "name"
-                        ]
-                    },
-                    {
-                        "$schema": "http://json-schema.org/draft-07/schema#",
-                        "title": "RuntimeItemString",
-                        "description": "name of runtime item in shortened notation",
+                "title": "runtime item name object schema",
+                "description": "A runtime item is a name of a pre-processor, post-processor, monitor, or result for a calculation. Can contain additional properties basename, filetype etc.",
+                "type": "object",
+                "required": [
+                    "name"
+                ],
+                "additionalProperties": true,
+                "properties": {
+                    "name": {
+                        "description": "The name of this item. e.g. scf_accuracy",
                         "type": "string"
                     }
-                ]
+                }
             }
         },
         "postProcessors": {
@@ -83,30 +63,19 @@
             "type": "array",
             "items": {
                 "$schema": "http://json-schema.org/draft-07/schema#",
-                "title": "runtime item schema",
-                "oneOf": [
-                    {
-                        "$schema": "http://json-schema.org/draft-07/schema#",
-                        "title": "name result schema",
-                        "type": "object",
-                        "properties": {
-                            "name": {
-                                "description": "The name of this item. e.g. scf_accuracy",
-                                "type": "string"
-                            }
-                        },
-                        "additionalProperties": true,
-                        "required": [
-                            "name"
-                        ]
-                    },
-                    {
-                        "$schema": "http://json-schema.org/draft-07/schema#",
-                        "title": "RuntimeItemString",
-                        "description": "name of runtime item in shortened notation",
+                "title": "runtime item name object schema",
+                "description": "A runtime item is a name of a pre-processor, post-processor, monitor, or result for a calculation. Can contain additional properties basename, filetype etc.",
+                "type": "object",
+                "required": [
+                    "name"
+                ],
+                "additionalProperties": true,
+                "properties": {
+                    "name": {
+                        "description": "The name of this item. e.g. scf_accuracy",
                         "type": "string"
                     }
-                ]
+                }
             }
         },
         "monitors": {
@@ -114,30 +83,19 @@
             "type": "array",
             "items": {
                 "$schema": "http://json-schema.org/draft-07/schema#",
-                "title": "runtime item schema",
-                "oneOf": [
-                    {
-                        "$schema": "http://json-schema.org/draft-07/schema#",
-                        "title": "name result schema",
-                        "type": "object",
-                        "properties": {
-                            "name": {
-                                "description": "The name of this item. e.g. scf_accuracy",
-                                "type": "string"
-                            }
-                        },
-                        "additionalProperties": true,
-                        "required": [
-                            "name"
-                        ]
-                    },
-                    {
-                        "$schema": "http://json-schema.org/draft-07/schema#",
-                        "title": "RuntimeItemString",
-                        "description": "name of runtime item in shortened notation",
+                "title": "runtime item name object schema",
+                "description": "A runtime item is a name of a pre-processor, post-processor, monitor, or result for a calculation. Can contain additional properties basename, filetype etc.",
+                "type": "object",
+                "required": [
+                    "name"
+                ],
+                "additionalProperties": true,
+                "properties": {
+                    "name": {
+                        "description": "The name of this item. e.g. scf_accuracy",
                         "type": "string"
                     }
-                ]
+                }
             }
         },
         "results": {
@@ -145,31 +103,32 @@
             "type": "array",
             "items": {
                 "$schema": "http://json-schema.org/draft-07/schema#",
-                "title": "runtime item schema",
-                "oneOf": [
-                    {
-                        "$schema": "http://json-schema.org/draft-07/schema#",
-                        "title": "name result schema",
-                        "type": "object",
-                        "properties": {
-                            "name": {
-                                "description": "The name of this item. e.g. scf_accuracy",
-                                "type": "string"
-                            }
-                        },
-                        "additionalProperties": true,
-                        "required": [
-                            "name"
-                        ]
-                    },
-                    {
-                        "$schema": "http://json-schema.org/draft-07/schema#",
-                        "title": "RuntimeItemString",
-                        "description": "name of runtime item in shortened notation",
+                "title": "runtime item name object schema",
+                "description": "A runtime item is a name of a pre-processor, post-processor, monitor, or result for a calculation. Can contain additional properties basename, filetype etc.",
+                "type": "object",
+                "required": [
+                    "name"
+                ],
+                "additionalProperties": true,
+                "properties": {
+                    "name": {
+                        "description": "The name of this item. e.g. scf_accuracy",
                         "type": "string"
                     }
-                ]
+                }
             }
+        },
+        "applicationName": {
+            "description": "name of the application this executable belongs to",
+            "type": "string"
+        },
+        "applicationVersion": {
+            "description": "version of the application this executable belongs to",
+            "type": "string"
+        },
+        "hasAdvancedComputeOptions": {
+            "description": "Whether advanced compute options are present",
+            "type": "boolean"
         }
     }
 }

package/dist/js/schema/software/executable_properties.json

@@ -0,0 +1,24 @@
+{
+    "$id": "software/executable-properties",
+    "$schema": "http://json-schema.org/draft-07/schema#",
+    "title": "executable properties schema",
+    "type": "object",
+    "required": [
+        "applicationName",
+        "applicationVersion"
+    ],
+    "properties": {
+        "applicationName": {
+            "description": "name of the application this executable belongs to",
+            "type": "string"
+        },
+        "applicationVersion": {
+            "description": "version of the application this executable belongs to",
+            "type": "string"
+        },
+        "hasAdvancedComputeOptions": {
+            "description": "Whether advanced compute options are present",
+            "type": "boolean"
+        }
+    }
+}