Fix test_capp.

smol/capp/generate/groundstate/upper_bound/solver.py

@@ -170,7 +170,8 @@ def __init__(
 
         self._other_constraints = other_constraints
         if initial_occupancy is not None:
-            self.initial_occupancy = np.array(initial_occupancy, dtype=int)
+            # Enforce int32.
+            self.initial_occupancy = np.array(initial_occupancy, dtype=np.int32)
         else:
             self.initial_occupancy = None
 

smol/capp/generate/groundstate/upper_bound/terms.py

@@ -26,10 +26,10 @@ def get_auxiliary_variable_values(
             Values of auxiliary variables subjecting to auxiliary constraints,
             as 0 and 1.
     """
-    variable_values = np.array(variable_values).astype(int)
+    variable_values = np.array(variable_values, dtype=int)
     aux_values = np.ones(len(indices_in_auxiliary_products), dtype=int)
     for i, inds in enumerate(indices_in_auxiliary_products):
-        aux_values[i] = np.product(variable_values[inds])
+        aux_values[i] = np.prod(variable_values[inds])
 
     return aux_values.astype(int)
 

smol/capp/generate/groundstate/upper_bound/variables.py

@@ -136,12 +136,13 @@ def get_occupancy_from_variables(
             List of variable indices corresponding to each site index and
             the species in its site space.
     Returns:
-        np.ndarray: Encoded occupancy string.
+        np.ndarray[np.int32]: Encoded occupancy string.
     """
     values = np.round(variable_values).astype(int)
 
     num_sites = len(variable_indices)
-    occu = np.zeros(num_sites, dtype=int) - 1
+    # Enforce int32.
+    occu = np.zeros(num_sites) - 1
     site_sublattice_ids = get_sublattice_indices_by_site(sublattices)
 
     # Not considering species encoding order yet.
@@ -162,7 +163,8 @@ def get_occupancy_from_variables(
     if np.any(occu < 0):
         raise ValueError(f"Variables does not match given indices: {variable_indices}!")
 
-    return occu
+    # Enforce int32.
+    return occu.astype(np.int32)
 
 
 def get_variable_values_from_occupancy(

smol/capp/generate/special/sqs.py

@@ -518,8 +518,9 @@ def __init__(
         self._kernel.kB = 1.0  # set kB to 1.0 units
 
         # get a trial trace to initialize sample container trace
+        # Enforce int32.
         _trace = self._kernel.compute_initial_trace(
-            np.zeros(kernels[0].ensemble.num_sites, dtype=int)
+            np.zeros(kernels[0].ensemble.num_sites, dtype=np.int32)
         )
         sample_trace = Trace(
             **{

tests/test_capp/test_solver/test_solver.py

@@ -204,7 +204,8 @@ def test_solve(simple_solver):
     else:
         other_states = set(permutations([0] * 4 + [1] * 4))
     for other_state in other_states:
-        other_state = np.array(list(other_state), dtype=int)
+        # Enforce int32.
+        other_state = np.array(list(other_state), dtype=np.int32)
         other_feats = simple_solver.ensemble.compute_feature_vector(other_state)
         other_energy = np.dot(other_feats, simple_solver.ensemble.natural_parameters)
         # allow just a tiny slack.

tests/test_capp/test_solver/test_utils.py

@@ -246,4 +246,4 @@ def test_expression_from_terms():
         rand_aux_vals = get_auxiliary_variable_values(rand_vals, indices)
         for ii, inds in enumerate(indices):
             assert len(inds) > 1
-            assert np.product(rand_vals[inds]) == rand_aux_vals[ii]
+            assert np.prod(rand_vals[inds]) == rand_aux_vals[ii]

tests/test_capp/test_solver/utils.py

@@ -56,7 +56,7 @@ def get_random_solver_test_occu(sublattices):
     ]
     f_code = anion_sublattice.encoding[anion_sublattice.species.index(Species("F", -1))]
 
-    occu = np.zeros(24, dtype=int) - 1
+    occu = np.zeros(24, dtype=np.int32) - 1
     occu[li_sites] = li_code
     occu[mn2_sites] = mn2_code
     occu[mn4_sites] = mn4_code
@@ -67,7 +67,7 @@ def get_random_solver_test_occu(sublattices):
 
     assert np.all(occu >= 0)
 
-    return occu
+    return occu.astype(np.int32)
 
 
 def get_random_variable_values(sublattices):
@@ -124,7 +124,7 @@ def get_random_neutral_occupancy(
     rand_occu = initial_occupancy.copy()
     for site_id, code in flip:
         rand_occu[site_id] = code
-    return rand_occu
+    return rand_occu.astype(np.int32)
 
 
 def get_random_neutral_variable_values(
@@ -139,7 +139,8 @@ def get_random_neutral_variable_values(
 
 def validate_correlations_from_occupancy(expansion_processor, occupancy):
     # Check whether our interpretation of corr function is correct.
-    occupancy = np.array(occupancy, dtype=int)
+    # Enforce int32.
+    occupancy = np.array(occupancy, dtype=np.int32)
     space = expansion_processor.cluster_subspace
     sc_matrix = expansion_processor.supercell_matrix
     mappings = space.supercell_orbit_mappings(sc_matrix)
@@ -168,7 +169,8 @@ def validate_correlations_from_occupancy(expansion_processor, occupancy):
 def validate_interactions_from_occupancy(decomposition_processor, occupancy):
     # Check whether our interpretation of corr function is correct.
     orbit_tensors = decomposition_processor._interaction_tensors
-    occupancy = np.array(occupancy, dtype=int)
+    # Enforce int32.
+    occupancy = np.array(occupancy, dtype=np.int32)
     space = decomposition_processor.cluster_subspace
     sc_matrix = decomposition_processor.supercell_matrix
     mappings = space.supercell_orbit_mappings(sc_matrix)
@@ -201,6 +203,6 @@ def evaluate_correlations_from_variable_values(grouped_terms, variable_values):
             if len(var_inds) == 0:
                 f += corr_factor
             else:
-                f += corr_factor * np.product(variable_values[var_inds])
+                f += corr_factor * np.prod(variable_values[var_inds])
         corr.append(f)
     return np.array(corr)