Merge branch 'main' into slater-gates

mypy.ini

@@ -2,6 +2,9 @@
 warn_unused_configs = True
 ignore_missing_imports = True
 strict_optional = False
+no_implicit_optional = True
+warn_redundant_casts = True
+warn_unused_ignores = True
 
 ### Output
 show_error_codes = True

qiskit_nature/algorithms/excited_states_solvers/qeom.py

@@ -238,7 +238,7 @@ def _build_one_sector(available_hopping_ops, untapered_op, z2_symmetries):
                     all_matrix_operators[f"v_{m_u}_{n_u}"] = v_mat_op
 
         try:
-            z2_symmetries = self._gsc.qubit_converter.z2symmetries  # type: ignore
+            z2_symmetries = self._gsc.qubit_converter.z2symmetries
         except AttributeError:
             z2_symmetries = Z2Symmetries([], [], [])
 

qiskit_nature/algorithms/pes_samplers/bopes_sampler.py

@@ -232,7 +232,7 @@ def _run_single_point(self, point: float) -> EigenstateResult:
         # Save optimal point to bootstrap
         if isinstance(self._gss.solver, VariationalAlgorithm):  # type: ignore
             # at every point evaluation, the optimal params are updated
-            optimal_params = result.raw_result.optimal_point  # type: ignore
+            optimal_params = result.raw_result.optimal_point
             self._points_optparams[point] = optimal_params
 
         return result

qiskit_nature/drivers/bosonic_bases/harmonic_basis.py

@@ -12,7 +12,7 @@
 
 """ Bosonic Harmonic Basis """
 
-from typing import Dict, List, Tuple, cast
+from typing import Dict, List, Tuple
 
 import numpy as np
 
@@ -164,7 +164,7 @@ class to be mapped to a qubit hamiltonian.
         }
 
         for entry in self._watson.data:  # Entry is coeff (float) followed by indices (ints)
-            coeff0 = cast(float, entry[0])
+            coeff0 = entry[0]
             indices = np.asarray(entry[1:], dtype=int)
 
             kinetic_term = False

qiskit_nature/drivers/pyscfd/pyscfdriver.py

@@ -144,7 +144,7 @@ def _check_valid():
             MissingOptionalLibraryError: If PySCF is not installed.
         """
         try:
-            spec = importlib.util.find_spec("pyscf")  # type: ignore
+            spec = importlib.util.find_spec("pyscf")
             if spec is not None:
                 return
         except Exception as ex:  # pylint: disable=broad-except

qiskit_nature/drivers/second_quantization/electronic_structure_molecule_driver.py

@@ -81,8 +81,8 @@ def driver_class_from_type(
                 raise MissingOptionalLibraryError(
                     libname=driver_type, name="ElectronicStructureDriverType"
                 )
-            driver_class.check_installed()  # type: ignore
-            driver_class.check_method_supported(method)  # type: ignore
+            driver_class.check_installed()
+            driver_class.check_method_supported(method)
 
         logger.debug("%s found from type %s.", driver_class.__name__, driver_type.value)
         return driver_class

qiskit_nature/drivers/second_quantization/pyscfd/pyscfdriver.py

@@ -159,7 +159,7 @@ def __init__(
         validate_min("max_cycle", max_cycle, 1)
 
         # we use the property-setter to deal with conversion
-        self.atom = atom  # type: ignore
+        self.atom = atom
         self._unit = unit
         self._charge = charge
         self._spin = spin
@@ -337,10 +337,7 @@ def from_molecule(
                 if key not in ["self"] and key in args:
                     kwargs[key] = value
 
-        kwargs["atom"] = [  # type: ignore
-            " ".join(map(str, (name, *coord)))  # type: ignore
-            for (name, coord) in molecule.geometry
-        ]
+        kwargs["atom"] = [" ".join(map(str, (name, *coord))) for (name, coord) in molecule.geometry]
         kwargs["charge"] = molecule.charge
         kwargs["spin"] = molecule.multiplicity - 1
         kwargs["unit"] = molecule.units
@@ -367,7 +364,7 @@ def check_installed() -> None:
             MissingOptionalLibraryError: If PySCF is not installed.
         """
         try:
-            spec = importlib.util.find_spec("pyscf")  # type: ignore
+            spec = importlib.util.find_spec("pyscf")
             if spec is not None:
                 return
         except Exception as ex:  # pylint: disable=broad-except

qiskit_nature/drivers/second_quantization/vibrational_structure_molecule_driver.py

@@ -73,7 +73,7 @@ def driver_class_from_type(
                 raise MissingOptionalLibraryError(
                     libname=driver_type, name="VibrationalStructureDriverType"
                 )
-            driver_class.check_installed()  # type: ignore
+            driver_class.check_installed()
 
         logger.debug("%s found from type %s.", driver_class.__name__, driver_type.value)
         return driver_class

qiskit_nature/operators/second_quantization/fermionic_op.py

@@ -288,7 +288,7 @@ def __init__(
                 self._data = [
                     (
                         self._substituted_label([(c, int(i)) for i, c in enumerate(label)]),
-                        complex(coeff),  # type: ignore
+                        complex(coeff),
                     )
                     for label, coeff in data
                 ]
@@ -298,7 +298,7 @@ def __init__(
                         self._substituted_label(
                             [(c[0], int(c[2:])) for c in label.split()]  # type: ignore
                         ),
-                        complex(coeff),  # type: ignore
+                        complex(coeff),
                     )
                     for label, coeff in data
                 ]
@@ -436,7 +436,7 @@ def add(self, other: "FermionicOp") -> "FermionicOp":
     def to_list(
         self,
         display_format: Optional[str] = None,
-    ) -> List[Tuple[str, complex]]:  # type: ignore
+    ) -> List[Tuple[str, complex]]:
         """Returns the operators internal contents in list-format.
 
         Args:

qiskit_nature/problems/second_quantization/electronic/builders/hopping_ops_builder.py

@@ -66,7 +66,6 @@ def _build_qeom_hopping_ops(
     if isinstance(excitations, (str, int)) or (
         isinstance(excitations, list) and all(isinstance(exc, int) for exc in excitations)
     ):
-        excitations = cast(Union[str, int, List[int]], excitations)
         ansatz = UCC(qubit_converter, (num_alpha, num_beta), num_spin_orbitals, excitations)
         excitations_list = ansatz._get_excitation_list()
     else:

qiskit_nature/problems/second_quantization/vibrational/builders/hopping_ops_builder.py

@@ -58,7 +58,6 @@ def _build_qeom_hopping_ops(
     if isinstance(excitations, (str, int)) or (
         isinstance(excitations, list) and all(isinstance(exc, int) for exc in excitations)
     ):
-        excitations = cast(Union[str, int, List[int]], excitations)
         ansatz = UVCC(qubit_converter, num_modals, excitations)
         excitations_list = ansatz._get_excitation_list()
     else:
@@ -90,7 +89,7 @@ def _build_qeom_hopping_ops(
     # at the moment we do not have any type of commutativity in the bosonic case.
     type_of_commutativities: Dict[str, List[bool]] = {}
 
-    return hopping_operators, type_of_commutativities, excitation_indices  # type: ignore
+    return hopping_operators, type_of_commutativities, excitation_indices
 
 
 def _build_single_hopping_operator(

qiskit_nature/properties/second_quantization/electronic/angular_momentum.py

@@ -139,15 +139,15 @@ def interpret(self, result: EigenstateResult) -> None:
         if not isinstance(result.aux_operator_eigenvalues, list):
             aux_operator_eigenvalues = [result.aux_operator_eigenvalues]
         else:
-            aux_operator_eigenvalues = result.aux_operator_eigenvalues  # type: ignore[assignment]
+            aux_operator_eigenvalues = result.aux_operator_eigenvalues
         for aux_op_eigenvalues in aux_operator_eigenvalues:
             if aux_op_eigenvalues is None:
                 continue
 
             _key = self.name if isinstance(aux_op_eigenvalues, dict) else 1
 
             if aux_op_eigenvalues[_key] is not None:
-                total_angular_momentum = aux_op_eigenvalues[_key][0].real  # type: ignore
+                total_angular_momentum = aux_op_eigenvalues[_key][0].real
                 result.total_angular_momentum.append(total_angular_momentum)
 
                 if expected is not None:

qiskit_nature/properties/second_quantization/electronic/dipole_moment.py

@@ -236,7 +236,7 @@ def interpret(self, result: EigenstateResult) -> None:
         if not isinstance(result.aux_operator_eigenvalues, list):
             aux_operator_eigenvalues = [result.aux_operator_eigenvalues]
         else:
-            aux_operator_eigenvalues = result.aux_operator_eigenvalues  # type: ignore[assignment]
+            aux_operator_eigenvalues = result.aux_operator_eigenvalues
 
         for aux_op_eigenvalues in aux_operator_eigenvalues:
             if aux_op_eigenvalues is None:
@@ -250,9 +250,9 @@ def interpret(self, result: EigenstateResult) -> None:
             for prop in iter(self):
                 moment: Optional[Tuple[complex, complex]]
                 try:
-                    moment = aux_op_eigenvalues[axes_order[prop._axis] + 3]  # type: ignore
+                    moment = aux_op_eigenvalues[axes_order[prop._axis] + 3]
                 except KeyError:
-                    moment = aux_op_eigenvalues.get(prop.name, None)  # type: ignore
+                    moment = aux_op_eigenvalues.get(prop.name, None)
                 if moment is not None:
                     dipole_moment[axes_order[prop._axis]] = moment[0].real  # type: ignore
 

qiskit_nature/properties/second_quantization/electronic/magnetization.py

@@ -94,14 +94,14 @@ def interpret(self, result: EigenstateResult) -> None:
         if not isinstance(result.aux_operator_eigenvalues, list):
             aux_operator_eigenvalues = [result.aux_operator_eigenvalues]
         else:
-            aux_operator_eigenvalues = result.aux_operator_eigenvalues  # type: ignore[assignment]
+            aux_operator_eigenvalues = result.aux_operator_eigenvalues
         for aux_op_eigenvalues in aux_operator_eigenvalues:
             if aux_op_eigenvalues is None:
                 continue
 
             _key = self.name if isinstance(aux_op_eigenvalues, dict) else 2
 
             if aux_op_eigenvalues[_key] is not None:
-                result.magnetization.append(aux_op_eigenvalues[_key][0].real)  # type: ignore
+                result.magnetization.append(aux_op_eigenvalues[_key][0].real)
             else:
                 result.magnetization.append(None)

qiskit_nature/properties/second_quantization/electronic/particle_number.py

@@ -190,15 +190,15 @@ def interpret(self, result: EigenstateResult) -> None:
         if not isinstance(result.aux_operator_eigenvalues, list):
             aux_operator_eigenvalues = [result.aux_operator_eigenvalues]
         else:
-            aux_operator_eigenvalues = result.aux_operator_eigenvalues  # type: ignore[assignment]
+            aux_operator_eigenvalues = result.aux_operator_eigenvalues
         for aux_op_eigenvalues in aux_operator_eigenvalues:
             if aux_op_eigenvalues is None:
                 continue
 
             _key = self.name if isinstance(aux_op_eigenvalues, dict) else 0
 
             if aux_op_eigenvalues[_key] is not None:
-                n_particles = aux_op_eigenvalues[_key][0].real  # type: ignore
+                n_particles = aux_op_eigenvalues[_key][0].real
                 result.num_particles.append(n_particles)
 
                 if not np.isclose(

qiskit_nature/properties/second_quantization/vibrational/occupied_modals.py

@@ -105,7 +105,7 @@ def interpret(self, result: EigenstateResult) -> None:
         if not isinstance(result.aux_operator_eigenvalues, list):
             aux_operator_eigenvalues = [result.aux_operator_eigenvalues]
         else:
-            aux_operator_eigenvalues = result.aux_operator_eigenvalues  # type: ignore[assignment]
+            aux_operator_eigenvalues = result.aux_operator_eigenvalues
 
         num_modes = len(self._basis._num_modals_per_mode)
 
@@ -114,7 +114,7 @@ def interpret(self, result: EigenstateResult) -> None:
             for mode in range(num_modes):
                 _key = str(mode) if isinstance(aux_op_eigenvalues, dict) else mode
                 if aux_op_eigenvalues[_key] is not None:
-                    occ_modals.append(aux_op_eigenvalues[_key][0].real)  # type: ignore
+                    occ_modals.append(aux_op_eigenvalues[_key][0].real)
                 else:
                     occ_modals.append(None)
-            result.num_occupied_modals_per_mode.append(occ_modals)  # type: ignore
+            result.num_occupied_modals_per_mode.append(occ_modals)

qiskit_nature/properties/second_quantization/vibrational/vibrational_energy.py

@@ -149,9 +149,9 @@ def second_q_ops(self) -> ListOrDictType[VibrationalOp]:
             ops.append(ints.to_second_q_op())
 
         if not settings.dict_aux_operators:
-            return [sum(ops)]  # type: ignore[list-item]
+            return [sum(ops)]
 
-        return {self.name: sum(ops)}  # type: ignore[dict-item]
+        return {self.name: sum(ops)}
 
     def interpret(self, result: EigenstateResult) -> None:
         """Interprets an :class:`~qiskit_nature.results.EigenstateResult` in this property's context.

qiskit_nature/transformers/second_quantization/electronic/active_space_transformer.py

@@ -410,7 +410,7 @@ def _transform_property(self, prop: Property) -> Property:
             transformed_property._shift[self.__class__.__name__] = e_inactive
 
         elif isinstance(prop, ParticleNumber):
-            p_n = cast(ParticleNumber, prop)
+            p_n = prop
             active_occ_alpha = p_n.occupation_alpha[self._active_orbs_indices]
             active_occ_beta = p_n.occupation_beta[self._active_orbs_indices]
             transformed_property = ParticleNumber(

qiskit_nature/transformers/second_quantization/electronic/freeze_core_transformer.py

@@ -12,7 +12,7 @@
 
 """The Freeze-Core Reduction interface."""
 
-from typing import cast, List, Optional, Tuple
+from typing import List, Optional, Tuple
 
 from qiskit_nature import QiskitNatureError
 from qiskit_nature.properties.second_quantization.electronic import ElectronicStructureDriverResult
@@ -78,7 +78,6 @@ def _determine_active_space(
                 "The FreezeCoreTransformer requires an `ElectronicStructureDriverResult`, not a "
                 f"property of type {type(grouped_property)}."
             )
-        grouped_property = cast(ElectronicStructureDriverResult, grouped_property)
 
         molecule = grouped_property.molecule
         particle_number = grouped_property.get_property("ParticleNumber")