Fixed wrong proc calc indexes.

nomad/api/upload.py

@@ -260,7 +260,7 @@ class UploadResource(Resource):
         try:
             page = int(request.args.get('page', 1))
             per_page = int(request.args.get('per_page', 10))
-            order_by = str(request.args.get('order_by', 'mainfile'))
+            order_by = request.args.get('order_by', None)
             order = int(str(request.args.get('order', -1)))
         except Exception:
             abort(400, message='invalid pagination or ordering')
@@ -271,12 +271,14 @@ class UploadResource(Resource):
         except AssertionError:
             abort(400, message='invalid pagination')
 
-        if order_by not in ['mainfile', 'tasks_status', 'parser']:
-            abort(400, message='invalid order_by field %s' % order_by)
+        if order_by is not None:
+            order_by = str(order_by)
+            if order_by not in ['mainfile', 'tasks_status', 'parser']:
+                abort(400, message='invalid order_by field %s' % order_by)
 
-        order_by = ('-%s' if order == -1 else '+%s') % order_by
+            order_by = ('-%s' if order == -1 else '+%s') % order_by
 
-        calcs = upload.all_calcs((page - 1) * per_page, page * per_page, order_by)
+        calcs = upload.all_calcs((page - 1) * per_page, page * per_page, order_by=order_by)
         failed_calcs = upload.failed_calcs
         result = ProxyUpload(upload, {
             'pagination': dict(

nomad/migration.py

@@ -961,7 +961,7 @@ class NomadCOEMigration:
             for page in range(1, math.ceil(upload_total_calcs / per_page) + 1):
                 upload = self.call_api(
                     'uploads.get_upload', upload_id=upload.upload_id, per_page=per_page,
-                    page=page, order_by='mainfile')
+                    page=page)
 
                 for calc_proc in upload.calcs.results:
                     calc_logger = logger.bind(

nomad/processing/data.py

@@ -68,7 +68,11 @@ class Calc(Proc):
 
     meta: Any = {
         'indexes': [
-            'upload_id', 'mainfile', 'parser', 'tasks_status', 'process_status'
+            'upload_id',
+            ('upload_id', 'mainfile'),
+            ('upload_id', 'parser'),
+            ('upload_id', 'tasks_status'),
+            ('upload_id', 'process_status')
         ]
     }
 
@@ -697,8 +701,9 @@ class Upload(Proc):
     def pending_calcs(self):
         return Calc.objects(upload_id=self.upload_id, tasks_status=PENDING).count()
 
-    def all_calcs(self, start, end, order_by='mainfile'):
-        return Calc.objects(upload_id=self.upload_id)[start:end].order_by(order_by)
+    def all_calcs(self, start, end, order_by=None):
+        query = Calc.objects(upload_id=self.upload_id)[start:end]
+        return query.order_by(order_by) if order_by is not None else query
 
     @property
     def calcs(self):

tests/test_api.py

@@ -274,6 +274,10 @@ class TestUploads:
                     return upload
             elif rv.status_code == 404:
                 return None
+            else:
+                raise Exception(
+                    'unexpected status code while blocking for upload processing: %s' %
+                    str(rv.status_code))
 
     def assert_upload_does_not_exist(self, client, upload_id: str, test_user_auth):
         self.block_until_completed(client, upload_id, test_user_auth)