SOF-6896: move data field from psp/file to psp schema

Exabyte-io · Nov 21, 2023 · 4c2fc77 · 4c2fc77
1 parent 53d1a4f
commit 4c2fc77
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Showing 2 changed files with 54 additions and 52 deletions.
diff --git a/example/methods_directory/physical/psp/file.json b/example/methods_directory/physical/psp/file.json
@@ -1,45 +1,42 @@
 {
-    "slug": "pseudopotential",
-    "data": {
-        "element": "Ru",
-        "hash": "3349af97451e04faae570056fb6a110b",
-        "filename": "ru_pbe_dojo-oncv_0.4.upf",
-        "path": "/export/share/pseudo/ru/gga/pbe/dojo-oncv/0.4/nc/ru_pbe_dojo-oncv_0.4.upf",
-        "valenceConfiguration": [
-            {
-                "orbitalName": "4S",
-                "orbitalIndex": 1,
-                "principalNumber": 4,
-                "angularMomentum": 0,
-                "occupation": 2.0
-            },
-            {
-                "orbitalName": "4P",
-                "orbitalIndex": 2,
-                "principalNumber": 4,
-                "angularMomentum": 1,
-                "occupation": 6.0
-            },
-            {
-                "orbitalName": "4D",
-                "orbitalIndex": 3,
-                "principalNumber": 4,
-                "angularMomentum": 2,
-                "occupation": 7.0
-            },
-            {
-                "orbitalName": "5S",
-                "orbitalIndex": 4,
-                "principalNumber": 5,
-                "angularMomentum": 0,
-                "occupation": 1.0
-            }
-        ],
-        "apps": ["espresso"],
-        "exchangeCorrelation": { "functional": "pbe", "approximation": "gga" },
-        "name": "pseudopotential",
-        "source": "dojo-oncv",
-        "type": "nc",
-        "version": "0.4"
-    }
+    "element": "Ru",
+    "hash": "3349af97451e04faae570056fb6a110b",
+    "filename": "ru_pbe_dojo-oncv_0.4.upf",
+    "path": "/export/share/pseudo/ru/gga/pbe/dojo-oncv/0.4/nc/ru_pbe_dojo-oncv_0.4.upf",
+    "valenceConfiguration": [
+        {
+            "orbitalName": "4S",
+            "orbitalIndex": 1,
+            "principalNumber": 4,
+            "angularMomentum": 0,
+            "occupation": 2.0
+        },
+        {
+            "orbitalName": "4P",
+            "orbitalIndex": 2,
+            "principalNumber": 4,
+            "angularMomentum": 1,
+            "occupation": 6.0
+        },
+        {
+            "orbitalName": "4D",
+            "orbitalIndex": 3,
+            "principalNumber": 4,
+            "angularMomentum": 2,
+            "occupation": 7.0
+        },
+        {
+            "orbitalName": "5S",
+            "orbitalIndex": 4,
+            "principalNumber": 5,
+            "angularMomentum": 0,
+            "occupation": 1.0
+        }
+    ],
+    "apps": ["espresso"],
+    "exchangeCorrelation": { "functional": "pbe", "approximation": "gga" },
+    "name": "pseudopotential",
+    "source": "dojo-oncv",
+    "type": "nc",
+    "version": "0.4"
 }
diff --git a/schema/methods_directory/physical/psp.json b/schema/methods_directory/physical/psp.json
@@ -12,15 +12,20 @@
         "categories": {
             "$ref": "../../methods_category/physical/qm/wf/psp.json"
         },
-        "slug": {
-            "type": "string",
-            "description": "pseudopotential"
-        },
-        "data": {
-            "type": "array",
-            "items": {
-                "description": "Specific data based on pseudopotential file.",
-                "$ref": "./psp/file.json"
+        "metaProperties": {
+            "type": "object",
+            "properties": {
+                "slug": {
+                    "type": "string",
+                    "description": "pseudopotential"
+                },
+                "data": {
+                    "type": "array",
+                    "items": {
+                        "description": "Specific data based on pseudopotential file.",
+                        "$ref": "./psp/file.json"
+                    }
+                }
             }
         }
     },