Fix pyright.

materialsproject · Jun 24, 2024 · c7c54f2 · c7c54f2
1 parent 4497ac1
commit c7c54f2
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Showing 5 changed files with 12 additions and 12 deletions.
diff --git a/custodian/cli/run_vasp.py b/custodian/cli/run_vasp.py
@@ -146,8 +146,8 @@ def get_jobs(args):
                     "dict": "INCAR",
                     "action": {
                         "_set": {
-                            "LDAUJ": [j * f for j in ldauj],
-                            "LDAUU": [u * f for u in ldauu],
+                            "LDAUJ": [j * f for j in ldauj],  # type: ignore
+                            "LDAUU": [u * f for u in ldauu],  # type: ignore
                         }
                     },
                 }

diff --git a/custodian/qchem/jobs.py b/custodian/qchem/jobs.py
@@ -540,7 +540,7 @@ def opt_with_frequency_flattener(
                     freq_1 = outdata.get("frequencies")[1]
                     if freq_0 > 0.0:
                         warnings.warn("All frequencies positive!")
-                        if opt_outdata.get("final_energy") > orig_energy:
+                        if opt_outdata.get("final_energy") > orig_energy:  # type: ignore
                             warnings.warn("WARNING: Energy increased during frequency flattening!")
                         break
                     if abs(freq_0) < 15.0 and freq_1 > 0.0:
@@ -662,10 +662,10 @@ def opt_with_frequency_flattener(
                         reversed_direction=reversed_direction,
                     )
                     new_molecule = Molecule(
-                        species=orig_species,
+                        species=orig_species,  # type: ignore
                         coords=new_coords,
-                        charge=orig_charge,
-                        spin_multiplicity=orig_multiplicity,
+                        charge=orig_charge,  # type: ignore
+                        spin_multiplicity=orig_multiplicity,  # type: ignore
                     )
                     if check_connectivity and not transition_state:
                         structure_successfully_perturbed = (
@@ -680,7 +680,7 @@ def opt_with_frequency_flattener(
                     )
 
                 new_opt_QCInput = QCInput(
-                    molecule=new_molecule,
+                    molecule=new_molecule,  # type: ignore
                     rem=opt_rem,
                     opt=orig_opt_input.opt,
                     pcm=orig_opt_input.pcm,

diff --git a/custodian/vasp/handlers.py b/custodian/vasp/handlers.py
@@ -236,7 +236,7 @@ def correct(self, directory="./"):
                 len(vi["POSCAR"].structure) < self.num_sites_kpoint_cutoff
                 and (new_kpoints == {})
                 and (self.error_count["dentet"] < 2)
-                and (uses_kspacing or uses_auto_kpoints)
+                and (uses_kspacing or uses_auto_kpoints)  # type: ignore
             ):
                 # 2. Try to increase k-point density consistent with lattice geometry
                 # Enforce minimum number of k-points = 4 for tetrahedron method

diff --git a/custodian/vasp/jobs.py b/custodian/vasp/jobs.py
@@ -160,7 +160,7 @@ def __init__(
                         vasp_path = which(vasp_cmd.split(" ")[-1])
                     elif isinstance(vasp_cmd, list):
                         vasp_path = which(vasp_cmd[-1])
-                    scope.set_tag("vasp_path", vasp_path)
+                    scope.set_tag("vasp_path", vasp_path)  # type: ignore
                     scope.set_tag("vasp_cmd", vasp_cmd)
                 except Exception:
                     logger.exception(f"Failed to detect VASP path: {vasp_cmd}")
@@ -499,7 +499,7 @@ def full_opt_run(
                     },
                 ]
                 if step == 1 and half_kpts_first_relax:
-                    settings.append({"dict": "KPOINTS", "action": {"_set": orig_kpts_dict}})
+                    settings.append({"dict": "KPOINTS", "action": {"_set": orig_kpts_dict}})  # type: ignore
             logger.info(f"Generating job = {step + 1}!")
             yield VaspJob(
                 vasp_cmd,

diff --git a/custodian/vasp/utils.py b/custodian/vasp/utils.py
@@ -88,7 +88,7 @@ def increase_k_point_density(
             new_kpoints = {"KSPACING": round(kpoints / mult_fac, 6), "KGAMMA": force_gamma}  # type: ignore[operator]
             new_nk = _estimate_num_k_points_from_kspacing(structure, new_kpoints["KSPACING"])
         else:
-            kpts = Kpoints.automatic_density(structure, mult_fac * kppa, force_gamma=force_gamma)
+            kpts = Kpoints.automatic_density(structure, mult_fac * kppa, force_gamma=force_gamma)  # type: ignore
             new_kpoints = {
                 "generation_style": str(kpts.style),
                 "kpoints": (tuple(kpts.kpts[0]),),
@@ -101,4 +101,4 @@ def increase_k_point_density(
 
         mult_fac += factor
 
-    return new_kpoints if success else {}
+    return new_kpoints if success else {}  # type: ignore