From 8d503f5bc8da68842d9a6f212ebd014349c58f88 Mon Sep 17 00:00:00 2001
From: Pranab Das <31024886+pranabdas@users.noreply.github.com>
Date: Tue, 21 Nov 2023 17:15:47 +0800
Subject: [PATCH] fix/SOF-6896: data field under psp/file is an object not
 array

+ avoid duplication of file.json content, use include to reuse in psp.json
---
 example/methods_directory/physical/psp.json   | 44 +------------------
 .../methods_directory/physical/psp/file.json  |  6 +--
 2 files changed, 3 insertions(+), 47 deletions(-)

diff --git a/example/methods_directory/physical/psp.json b/example/methods_directory/physical/psp.json
index fc55a2358..46c0fb2ec 100644
--- a/example/methods_directory/physical/psp.json
+++ b/example/methods_directory/physical/psp.json
@@ -10,49 +10,7 @@
     },
     "data": [
         {
-            "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"
-            }
+            "...": "include(psp/file.json)"
         }
     ]
 }
diff --git a/schema/methods_directory/physical/psp/file.json b/schema/methods_directory/physical/psp/file.json
index fc6d3948e..2e2e97e48 100644
--- a/schema/methods_directory/physical/psp/file.json
+++ b/schema/methods_directory/physical/psp/file.json
@@ -7,10 +7,8 @@
             "enum": ["pseudopotential"]
         },
         "data": {
-            "items": {
-                "description": "Specific data based on pseudopotential file.",
-                "$ref": "file_data_item.json"
-            }
+            "description": "Specific data based on pseudopotential file.",
+            "$ref": "file_data_item.json"
         },
         "source": {
             "type": "object",