changed task_id -> material_id

materialsproject · Mar 16, 2021 · 6cee3ff · 6cee3ff
1 parent d4b4d4e
commit 6cee3ff
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Showing 3 changed files with 5 additions and 5 deletions.
diff --git a/emmet-builders/emmet/builders/vasp/thermo.py b/emmet-builders/emmet/builders/vasp/thermo.py
@@ -249,7 +249,7 @@ def get_new_chemsys(self) -> Set:
         thermo_mat_ids = self.thermo.distinct(self.thermo.key)
         mat_ids = self.materials.distinct(self.materials.key, self.query)
         dif_task_ids = list(set(mat_ids) - set(thermo_mat_ids))
-        q = {"task_id": {"$in": dif_task_ids}}
+        q = {"material_id": {"$in": dif_task_ids}}
         new_mat_chemsys = set(self.materials.distinct("chemsys", q))
         self.logger.debug(f"Found {len(new_mat_chemsys)} new chemical systems")
 

diff --git a/emmet-builders/requirements.txt b/emmet-builders/requirements.txt
@@ -1,3 +1,3 @@
-pymatgen==2020.12.31
-maggma==0.25.0
+pymatgen>=2020.12.31
+maggma>=0.25.0
 emmet-core
diff --git a/emmet-core/emmet/core/migration_graph.py b/emmet-core/emmet/core/migration_graph.py
@@ -102,8 +102,8 @@ def get_mg_uhop_key(ipos, epos):
         for k, v in self.unique_hops.items():
             mg_k = get_mg_uhop_key(v["ipos"], v["epos"])
             if k != mg_k:
-                raise RuntimeError("The unique hops in the reconstructed migration graph is different than the one in the document"
-                                   f"MigrationGraphDoc ({k}) MigrationGraph ({mg_k})")
+                raise RuntimeError("The unique hops in the reconstructed migration graph is different than the one "
+                                   f"in the document MigrationGraphDoc ({k}) MigrationGraph ({mg_k})")
 
         # TODO add any datamapping from the DB to reconstructed object here.