adjust unit tests to reameing iso_atom job name

tests/auto/test_auto_flows.py

@@ -18,8 +18,8 @@ def ref_paths():
         "tight relax 1_test": "dft_ml_data_generation/tight_relax_1/",
         "tight relax 2_test": "dft_ml_data_generation/tight_relax_2/",
         "static_test": "dft_ml_data_generation/static/",
-        "Cl-statisoatom": "Cl_iso_atoms/Cl-statisoatom/",
-        "Li-statisoatom": "Li_iso_atoms/Li-statisoatom/",
+        "Cl-stat_iso_atom": "Cl_iso_atoms/Cl-statisoatom/",
+        "Li-stat_iso_atom": "Li_iso_atoms/Li-statisoatom/",
         "dft phonon static 1/2_test": "dft_ml_data_generation/phonon_static_1/",
         "dft phonon static 2/2_test": "dft_ml_data_generation/phonon_static_2/",
         "dft rattle static 1/12_test": "dft_ml_data_generation/rand_static_1/",
@@ -63,8 +63,8 @@ def ref_paths_mpid():
         "tight relax 1_mp-22905": "dft_ml_data_generation/tight_relax_1/",
         "tight relax 2_mp-22905": "dft_ml_data_generation/tight_relax_2/",
         "static_mp-22905": "dft_ml_data_generation/static/",
-        "Cl-statisoatom": "Cl_iso_atoms/Cl-statisoatom/",
-        "Li-statisoatom": "Li_iso_atoms/Li-statisoatom/",
+        "Cl-stat_iso_atom": "Cl_iso_atoms/Cl-statisoatom/",
+        "Li-stat_iso_atom": "Li_iso_atoms/Li-statisoatom/",
         "dft phonon static 1/2_mp-22905": "dft_ml_data_generation/phonon_static_1/",
         "dft phonon static 2/2_mp-22905": "dft_ml_data_generation/phonon_static_2/",
         "dft rattle static 1/12_mp-22905": "dft_ml_data_generation/rand_static_1/",
@@ -260,8 +260,8 @@ def ref_paths4():
         "tight relax 1_test": "dft_ml_data_generation/tight_relax_1/",
         "tight relax 2_test": "dft_ml_data_generation/tight_relax_2/",
         "static_test": "dft_ml_data_generation/static/",
-        "Cl-statisoatom": "Cl_iso_atoms/Cl-statisoatom/",
-        "Li-statisoatom": "Li_iso_atoms/Li-statisoatom/",
+        "Cl-stat_iso_atom": "Cl_iso_atoms/Cl-statisoatom/",
+        "Li-stat_iso_atom": "Li_iso_atoms/Li-statisoatom/",
         "dft phonon static 1/2_test": "dft_ml_data_generation/phonon_static_1/",
         "dft phonon static 2/2_test": "dft_ml_data_generation/phonon_static_2/",
         "dft rattle static 1/4_test": "dft_ml_data_generation/rand_static_1/",
@@ -318,8 +318,8 @@ def ref_paths4_mpid():
         "tight relax 1_mp-22905": "dft_ml_data_generation/tight_relax_1/",
         "tight relax 2_mp-22905": "dft_ml_data_generation/tight_relax_2/",
         "static_mp-22905": "dft_ml_data_generation/static/",
-        "Cl-statisoatom": "Cl_iso_atoms/Cl-statisoatom/",
-        "Li-statisoatom": "Li_iso_atoms/Li-statisoatom/",
+        "Cl-stat_iso_atom": "Cl_iso_atoms/Cl-statisoatom/",
+        "Li-stat_iso_atom": "Li_iso_atoms/Li-statisoatom/",
         "dft phonon static 1/2_test": "dft_ml_data_generation/phonon_static_1/",
         "dft phonon static 2/2_test": "dft_ml_data_generation/phonon_static_2/",
         "dft phonon static 1/2_test2": "dft_ml_data_generation/phonon_static_1/",

tests/auto/test_auto_jobs.py

@@ -90,42 +90,42 @@ def test_get_iso_atom(vasp_test_dir, mock_vasp, clean_dir, memory_jobstore):
     ]
 
     ref_paths = {
-        "Li-statisoatom": "Li_iso_atoms/Li-statisoatom/",
-        "Cl-statisoatom": "Cl_iso_atoms/Cl-statisoatom/",
-        "C-statisoatom": "Cl_iso_atoms/Cl-statisoatom/",
-        "Mo-statisoatom": "Cl_iso_atoms/Cl-statisoatom/",
-        "K-statisoatom": "Cl_iso_atoms/Cl-statisoatom/",
-        "Si-statisoatom": "Cl_iso_atoms/Cl-statisoatom/",
-        "Na-statisoatom": "Cl_iso_atoms/Cl-statisoatom/",
+        "Li-stat_iso_atom": "Li_iso_atoms/Li-statisoatom/",
+        "Cl-stat_iso_atom": "Cl_iso_atoms/Cl-statisoatom/",
+        "C-stat_iso_atom": "Cl_iso_atoms/Cl-statisoatom/",
+        "Mo-stat_iso_atom": "Cl_iso_atoms/Cl-statisoatom/",
+        "K-stat_iso_atom": "Cl_iso_atoms/Cl-statisoatom/",
+        "Si-stat_iso_atom": "Cl_iso_atoms/Cl-statisoatom/",
+        "Na-stat_iso_atom": "Cl_iso_atoms/Cl-statisoatom/",
     }
 
     # settings passed to fake_run_vasp; adjust these to check for certain INCAR settings
     fake_run_vasp_kwargs = {
-        "Li-statisoatom": {
+        "Li-stat_iso_atom": {
             "incar_settings": ["NSW"],
             "check_inputs": ["incar", "kpoints"],
         },
-        "Cl-statisoatom": {
+        "Cl-stat_iso_atom": {
             "incar_settings": ["NSW"],
             "check_inputs": ["incar", "kpoints"],
         },
-        "C-statisoatom": {
+        "C-stat_iso_atom": {
             "incar_settings": ["NSW"],
             "check_inputs": ["incar", "kpoints"],
         },
-        "Mo-statisoatom": {
+        "Mo-stat_iso_atom": {
             "incar_settings": ["NSW"],
             "check_inputs": ["incar", "kpoints"],
         },
-        "K-statisoatom": {
+        "K-stat_iso_atom": {
             "incar_settings": ["NSW"],
             "check_inputs": ["incar", "kpoints"],
         },
-        "Si-statisoatom": {
+        "Si-stat_iso_atom": {
             "incar_settings": ["NSW"],
             "check_inputs": ["incar", "kpoints"],
         },
-        "Na-statisoatom": {
+        "Na-stat_iso_atom": {
             "incar_settings": ["NSW"],
             "check_inputs": ["incar", "kpoints"],
         },

tests/data/test_datagen_flows.py

@@ -293,12 +293,12 @@ def test_iso_atom_maker(mock_vasp, clean_dir):
     specie = Species("Cl")
 
     ref_paths = {
-        "Cl-statisoatom": "Cl_iso_atoms/Cl-statisoatom/",
+        "Cl-stat_iso_atom": "Cl_iso_atoms/Cl-statisoatom/",
     }
 
     # settings passed to fake_run_vasp; adjust these to check for certain INCAR settings
     fake_run_vasp_kwargs = {
-        "Cl-statisoatom": {"incar_settings": ["NSW", "ISMEAR"]},
+        "Cl-stat_iso_atom": {"incar_settings": ["NSW", "ISMEAR"]},
     }
 
     # automatically use fake VASP and write POTCAR.spec during the test