Merge pull request #749 from jmmshn/test_patch_js

small fixes to tests

Author: Zhuoying

atomate/utils/tests/test_database.py

@@ -38,7 +38,7 @@ def tearDownClass(cls):
 
     def test_s3_valid(self):
         with mock_s3():
-            conn = boto3.client("s3")
+            conn = boto3.resource('s3', region_name='us-east-1')
             conn.create_bucket(Bucket="test_bucket")
             index_store = MemoryStore()
             store = self.testdb.get_store("test")
@@ -51,7 +51,7 @@ def test_s3_valid(self):
 
     def test_s3_not_valid(self):
         with mock_s3():
-            conn = boto3.client("s3")
+            conn = boto3.resource('s3', region_name='us-east-1')
             conn.create_bucket(Bucket="test_bucket_2")
             index_store = MemoryStore()
             store = self.testdb.get_store("test2")
@@ -62,7 +62,7 @@ def test_s3_not_valid(self):
 
     def test_maggma_store_names(self):
         with mock_s3():
-            conn = boto3.client("s3")
+            conn = boto3.resource('s3', region_name='us-east-1')
             conn.create_bucket(Bucket="test_bucket")
             index_store = MemoryStore()
             store = self.testdb.get_store("test")
@@ -85,7 +85,7 @@ def test_uri(self):
         self.assertEqual(calc_db.collection.find_one()["data"], "12345")
 
         with mock_s3():
-            conn = boto3.client("s3")
+            conn = boto3.resource('s3', region_name='us-east-1')
             conn.create_bucket(Bucket="test_bucket")
             uri_db = TestToDb.from_db_file(db_dir + "/db_aws_uri.json")
             store = uri_db.get_store("test")

atomate/vasp/workflows/tests/test_insertion_workflow.py

@@ -22,9 +22,8 @@
 class TestInsertionWorkflow(AtomateTest):
     def setUp(self):
         super().setUp()
-        input_output_dirs = ref_dir / "insertion_wf"
-        names = os.walk(input_output_dirs).__next__()[1]
-        calc_dirs = {n_: input_output_dirs / n_ for n_ in names}
+        names = os.walk(wf_dir).__next__()[1]
+        calc_dirs = {n_: wf_dir / n_ for n_ in names}
         base_struct = Structure.from_file(wf_dir / "YPO4-static/inputs/POSCAR")
         sm = StructureMatcher(ltol=0.6, stol=0.6, angle_tol=9)
 

requirements.txt

@@ -12,5 +12,5 @@ pymatgen
 pymongo
 pyyaml==5.4.1
 ruamel.yaml==0.17.9
-scipy==1.7.0
+scipy==1.7.2
 tqdm==4.61.1

setup.cfg

@@ -21,3 +21,6 @@ per-file-ignores =
 
 [isort]
 profile = black
+
+[tool:pytest]
+addopts = --ignore=atomate/qchem/test_files