Added support for latest optimade features.

=

+============================= test session starts ==============================
+platform darwin -- Python 3.7.7, pytest-3.10.0, py-1.10.0, pluggy-0.13.1 -- /Users/markus/Documents/Projects/nomad-fairdi/.pyenv/bin/python
+cachedir: .pytest_cache
+rootdir: /Users/markus/Documents/Projects/nomad-fairdi/tests, inifile: pytest.ini
+plugins: celery-4.4.7, cov-2.7.1, timeout-1.4.2
+collecting ... 
+========================= no tests ran in 0.01 seconds =========================

nomad/app/optimade/filterparser.py

@@ -17,7 +17,7 @@
 #
 
 from typing import Dict
-from elasticsearch_dsl import Q
+from elasticsearch_dsl import Q, Date
 from cachetools import cached
 
 from optimade.filterparser import LarkParser
@@ -49,6 +49,8 @@ def _get_transformer(nomad_properties, without_prefix):
 
     quantities['id'] = Quantity('id', es_field='calc_id')
     quantities['immutable_id'] = Quantity('immutable_id', es_field='calc_id')
+    quantities['last_modified'] = Quantity(
+        'last_modified', es_field='upload_time', elastic_mapping_type=Date)
 
     quantities['elements'].length_quantity = quantities['nelements']
     quantities['elements'].has_only_quantity = Quantity(name='only_atoms')

nomad/datamodel/optimade.py

@@ -240,6 +240,7 @@ class OptimadeEntry(MSection):
     species_at_sites = Quantity(
         type=str, shape=['nsites'],
         links=optimade_links('h.6.2.12'),
+        a_search=Search(),
         a_optimade=Optimade(query=False, entry=True, sortable=False, type='list'), description='''
             Name of the species at each site (where values for sites are specified with the same
             order of the cartesian_site_positions property). The properties of the species are

tests/app/flask/utils.py

@@ -18,6 +18,7 @@
 
 from typing import List
 import numpy as np
+import datetime
 
 from nomad import processing, files
 from nomad.datamodel import EntryMetadata, MongoMetadata, EntryArchive
@@ -102,7 +103,8 @@ class Upload():
 
         entry_metadata.m_update(
             domain='dft', upload_id=self.upload_id, calc_id='test_calc_id_%d' % id,
-            mainfile='test_mainfile', published=True, processed=True, with_embargo=False)
+            mainfile='test_mainfile', published=True, processed=True, with_embargo=False,
+            upload_time=datetime.datetime.now())
 
         entry_metadata.apply_domain_metadata(archive)
 

tests/app/test_optimade.py

@@ -60,7 +60,7 @@ def example_structures(elastic_infra, mongo_infra, raw_files_infra):
     upload.create_test_structure(1, 2, 1, [], 0)
     upload.create_test_structure(2, 2, 1, ['C'], 0)
     upload.create_test_structure(3, 2, 1, [], 1)
-    upload.create_test_structure(4, 1, 1, [], 0)
+    upload.create_test_structure(4, 1, 1, [], 0, metadata=dict(upload_time='1978-04-08T10:10:00Z'))
     upload.create_upload_files()
     search.refresh()
 
@@ -126,7 +126,9 @@ def example_structures(elastic_infra, mongo_infra, raw_files_infra):
     ('nelements LENGTH = 1', -1),
     ('LENGTH nelements = 1', -1),
     ('chemical_formula_anonymous starts with "A"', -1),
-    ('elements HAS ONY "H", "O"', -1)
+    ('elements HAS ONY "H", "O"', -1),
+    ('last_modified >= "2009-02-01T20:07:00Z"', 3),
+    ('species_at_sites HAS "C"', 1)
 ])
 def test_optimade_parser(example_structures, query, results):
     if results >= 0: