fix ModuleNotFoundError: No module named 'pymatgen.transformations.defect_transformations'

by adding pymatgen-analysis-defects to setup.py install_requires
this is necessary following pymatgen release v2022719
https://github.com/materialsproject/pymatgen/blob/master/CHANGES.rst#v2022719

Author: janosh

atomate/vasp/powerups.py

@@ -214,7 +214,7 @@ def add_trackers(original_wf, tracked_files=None, nlines=25):
     trackers = [Tracker(f, nlines=nlines, allow_zipped=True) for f in tracked_files]
 
     idx_list = get_fws_and_tasks(original_wf, task_name_constraint="RunVasp")
-    for idx_fw, idx_t in idx_list:
+    for idx_fw, _ in idx_list:
         if "_trackers" in original_wf.fws[idx_fw].spec:
             original_wf.fws[idx_fw].spec["_trackers"].extend(trackers)
         else:

atomate/vasp/workflows/tests/test_adsorbate_workflow.py

@@ -51,7 +51,7 @@ def setUp(self):
             db_file=os.path.join(db_dir, "db.json"),
         )
 
-    @unittest.skip("The expected behaviour of these functions has changed.")
+    @unittest.skip("The expected behavior of these functions has changed.")
     def test_wf_functions(self):
         # Test slab trans params generator
         for slab in self.slabs:
@@ -135,7 +135,7 @@ def _simulate_vasprun(self, wf):
 
     def _check_run(self, d, mode):
         if mode not in ["H1-Ir_(1, 0, 0) adsorbate optimization 1", "oriented_ucell"]:
-            raise ValueError("Invalid mode!")
+            raise ValueError(f"Invalid {mode=}!")
 
         if "adsorbate" in mode:
             self.assertEqual(d["formula_reduced_abc"], "H1 Ir16")

setup.py

@@ -34,6 +34,7 @@
             "pydash>=4.1.0",
             "pymatgen-analysis-diffusion",
             "pymatgen",
+            "pymatgen-analysis-defects",
             "pymongo",
             "pyyaml>=5.1.2",
             "ruamel.yaml",