reordered repository meta-information, added info for previously missing ES-field mapping entries

meta_info/nomad_meta_info/repository.nomadmetainfo.json

@@ -32,6 +32,13 @@
       "superNames": [
         "section_author_info"
       ]
+    }, {
+      "description": "internal ID of the citation (primary key in Postgres DB)",
+      "dtypeStr": "C",
+      "name": "citation_repo_id",
+      "superNames": [
+        "section_citation"
+      ]
     }, {
       "description": "The type of citation (internal or external)",
       "dtypeStr": "C",
@@ -46,6 +53,13 @@
       "superNames": [
         "section_citation"
       ]
+    }, {
+      "description": "internal ID of the data set (primary key in Postgres DB calculations table)",
+      "dtypeStr": "i",
+      "name": "dataset_calc_id",
+      "superNames": [
+        "section_repository_dataset"
+      ]
     }, {
       "description": "Checksum idendifying the dataset in the repository",
       "dtypeStr": "C",
@@ -60,6 +74,13 @@
       "superNames": [
         "section_repository_dataset"
       ]
+    }, {
+      "description": "internal ID of the (optional) parent data set (primary key in Postgres DB calculations table)",
+      "dtypeStr": "i",
+      "name": "dataset_parent_calc_id",
+      "superNames": [
+        "section_repository_dataset"
+      ]
     }, {
       "description": "Unique identifier of the parent NOMAD repository dataset",
       "dtypeStr": "C",
@@ -89,6 +110,13 @@
       "superNames": [
         "section_repository_info"
       ]
+    }, {
+      "description": "Number of different elements contained in the system",
+      "dtypeStr": "i",
+      "name": "repository_atomic_elements_count",
+      "superNames": [
+        "section_repository_info"
+      ]
     }, {
       "description": "Atomic elements used in this calculation",
       "dtypeStr": "C",
@@ -125,6 +153,20 @@
       "superNames": [
         "section_repository_info"
       ]
+    }, {
+      "description": "version of the code that was used to generate the calculation",
+      "dtypeStr": "C",
+      "name": "repository_code_version",
+      "superNames": [
+        "section_repository_info"
+      ]
+    }, {
+      "description": "Comment on data uploaded to NOMAD repository",
+      "dtypeStr": "C",
+      "name": "repository_comment",
+      "superNames": [
+        "section_repository_info"
+      ]
     }, {
       "description": "String identifying the crystal system of this calculation",
       "dtypeStr": "C",
@@ -132,6 +174,14 @@
       "superNames": [
         "section_repository_info"
       ]
+    }, {
+      "description": "paths to the files associated with this calculation on the file system",
+      "dtypeStr": "C",
+      "name": "repository_filepaths",
+      "repeats": true,
+      "superNames": [
+        "section_repository_info"
+      ]
     }, {
       "description": "Checksum of the fields used in the NOMAD repository search result table: repository_chemical_formula, repository_spacegroup_nr, repository_basis_set_type, repository_xc_treatment, repository_code_version, repository_access_now, citation_repo_id, repository_comment, author_repository_id. Checksum is Base64 (url safe) encoding of the first 168 bit of SHA-512 prefixed with 'g'",
       "dtypeStr": "C",
@@ -146,6 +196,13 @@
       "superNames": [
         "section_repository_info"
       ]
+    }, {
+      "description": "path to the primary file of this calculation on the file system",
+      "dtypeStr": "C",
+      "name": "repository_location",
+      "superNames": [
+        "section_repository_info"
+      ]
     }, {
       "description": "A nomad uri to normalized calculation corresponding to this calculation",
       "dtypeStr": "C",
@@ -272,18 +329,25 @@
         "section_shared_with"
       ]
     }, {
-      "description": "username of a person this calculation is shared with",
-      "dtypeStr": "C",
-      "name": "shared_with_username",
+      "description": "full name of the user the calculation has been shared with",
+      "dtypeStr": "i",
+      "name": "shared_with_name",
       "superNames": [
         "section_shared_with"
       ]
     }, {
-      "description": "Comment on data uploaded to NOMAD repository",
+      "description": "repository-internal ID of the user the calculation has been shared with",
+      "dtypeStr": "i",
+      "name": "shared_with_repo_id",
+      "superNames": [
+        "section_shared_with"
+      ]
+    }, {
+      "description": "username of a person this calculation is shared with",
       "dtypeStr": "C",
-      "name": "repository_comment",
+      "name": "shared_with_username",
       "superNames": [
-        "section_repository_info"
+        "section_shared_with"
       ]
     }, {
       "description": "Date/time when the data was uploaded to NOMAD repository (offset from *Unix epoch* (00:00:00 UTC on 1 January 1970) in seconds)",
@@ -320,6 +384,13 @@
       "superNames": [
         "section_uploader_info"
       ]
+    }, {
+      "description": "full name of the user who uploaded the calculation",
+      "dtypeStr": "i",
+      "name": "uploader_name",
+      "superNames": [
+        "section_uploader_info"
+      ]
     }, {
       "description": "First name of the uploader to NOMAD repository (includes middle names)",
       "dtypeStr": "i",