style: enable B905 to prevent issues with zip (#5136)

<!-- This is an auto-generated comment: release notes by coderabbit.ai
-->
## Summary by CodeRabbit

* **Bug Fixes**
* Enforced strict length consistency when pairing related sequences
across model runtime, data utilities, and inference paths to fail fast
on mismatches.

* **Tests**
* Hardened tests to require sequence-length parity and added dtype
checks, improving reliability and clearer failures.

* **Chores**
* Updated lint configuration to include an additional rule identifier
for consistent code quality.

<sub>✏️ Tip: You can customize this high-level summary in your review
settings.</sub>
<!-- end of auto-generated comment: release notes by coderabbit.ai -->

---------

Signed-off-by: Jinzhe Zeng <jinzhe.zeng@ustc.edu.cn>
Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
Co-authored-by: Copilot <198982749+Copilot@users.noreply.github.com>
Co-authored-by: njzjz <9496702+njzjz@users.noreply.github.com>

Author: 3 people

deepmd/calculator.py

@@ -103,7 +103,7 @@ def __init__(
             self.type_dict = type_dict
         else:
             self.type_dict = dict(
-                zip(self.dp.get_type_map(), range(self.dp.get_ntypes()))
+                zip(self.dp.get_type_map(), range(self.dp.get_ntypes()), strict=True)
             )
 
     def calculate(

deepmd/dpmodel/atomic_model/linear_atomic_model.py

@@ -155,7 +155,7 @@ def get_model_sels(self) -> list[int | list[int]]:
     def _sort_rcuts_sels(self) -> tuple[tuple[Array, Array], list[int]]:
         # sort the pair of rcut and sels in ascending order, first based on sel, then on rcut.
         zipped = sorted(
-            zip(self.get_model_rcuts(), self.get_model_nsels()),
+            zip(self.get_model_rcuts(), self.get_model_nsels(), strict=True),
             key=lambda x: (x[1], x[0]),
         )
         return [p[0] for p in zipped], [p[1] for p in zipped]
@@ -235,12 +235,14 @@ def forward_atomic(
         )
         raw_nlists = [
             nlists[get_multiple_nlist_key(rcut, sel)]
-            for rcut, sel in zip(self.get_model_rcuts(), self.get_model_nsels())
+            for rcut, sel in zip(
+                self.get_model_rcuts(), self.get_model_nsels(), strict=True
+            )
         ]
         nlists_ = [
             nl if mt else nlist_distinguish_types(nl, extended_atype, sel)
             for mt, nl, sel in zip(
-                self.mixed_types_list, raw_nlists, self.get_model_sels()
+                self.mixed_types_list, raw_nlists, self.get_model_sels(), strict=True
             )
         ]
         ener_list = []

deepmd/dpmodel/descriptor/hybrid.py

@@ -101,7 +101,7 @@ def __init__(
             start_idx = np.cumsum(np.pad(hybrid_sel, (1, 0), "constant"))[:-1]
             end_idx = start_idx + np.array(sub_sel)
             cut_idx = np.concatenate(
-                [range(ss, ee) for ss, ee in zip(start_idx, end_idx)]
+                [range(ss, ee) for ss, ee in zip(start_idx, end_idx, strict=True)]
             )
             nlist_cut_idx.append(cut_idx)
         self.nlist_cut_idx = nlist_cut_idx
@@ -310,7 +310,7 @@ def call(
             )
         else:
             nl_distinguish_types = None
-        for descrpt, nci in zip(self.descrpt_list, self.nlist_cut_idx):
+        for descrpt, nci in zip(self.descrpt_list, self.nlist_cut_idx, strict=True):
             # cut the nlist to the correct length
             if self.mixed_types() == descrpt.mixed_types():
                 nl = xp.take(nlist, nci, axis=2)

deepmd/dpmodel/infer/deep_eval.py

@@ -229,6 +229,7 @@ def eval(
             zip(
                 [x.name for x in request_defs],
                 out,
+                strict=True,
             )
         )
 

deepmd/dpmodel/utils/nlist.py

@@ -255,7 +255,7 @@ def build_multiple_neighbor_list(
     rr = xp.where(nlist_mask, xp.full_like(rr, float("inf")), rr)
     nlist0 = nlist
     ret = {}
-    for rc, ns in zip(rcuts[::-1], nsels[::-1]):
+    for rc, ns in zip(rcuts[::-1], nsels[::-1], strict=True):
         tnlist_1 = nlist0[:, :, :ns]
         tnlist_1 = xp.where(rr[:, :, :ns] > rc, xp.full_like(tnlist_1, -1), tnlist_1)
         ret[get_multiple_nlist_key(rc, ns)] = tnlist_1

deepmd/jax/infer/deep_eval.py

@@ -249,6 +249,7 @@ def eval(
             zip(
                 [x.name for x in request_defs],
                 out,
+                strict=True,
             )
         )
 

deepmd/tf/descriptor/loc_frame.py

@@ -187,7 +187,7 @@ def compute_input_stats(
             sumn = []
             sumv2 = []
             for cc, bb, tt, nn, mm in zip(
-                data_coord, data_box, data_atype, natoms_vec, mesh
+                data_coord, data_box, data_atype, natoms_vec, mesh, strict=True
             ):
                 sysv, sysv2, sysn = self._compute_dstats_sys_nonsmth(cc, bb, tt, nn, mm)
                 sumv.append(sysv)

deepmd/tf/descriptor/se_a.py

@@ -374,7 +374,7 @@ def compute_input_stats(
             sumr2 = []
             suma2 = []
             for cc, bb, tt, nn, mm in zip(
-                data_coord, data_box, data_atype, natoms_vec, mesh
+                data_coord, data_box, data_atype, natoms_vec, mesh, strict=True
             ):
                 sysr, sysr2, sysa, sysa2, sysn = self._compute_dstats_sys_smth(
                     cc, bb, tt, nn, mm
@@ -1331,7 +1331,7 @@ def init_variables(
                 start_index_old[0] = 0
 
                 for nn, oo, ii, jj in zip(
-                    n_descpt, n_descpt_old, start_index, start_index_old
+                    n_descpt, n_descpt_old, start_index, start_index_old, strict=True
                 ):
                     if nn < oo:
                         # new size is smaller, copy part of std

deepmd/tf/descriptor/se_a_ef.py

@@ -419,7 +419,13 @@ def compute_input_stats(
             sumr2 = []
             suma2 = []
             for cc, bb, tt, nn, mm, ee in zip(
-                data_coord, data_box, data_atype, natoms_vec, mesh, data_efield
+                data_coord,
+                data_box,
+                data_atype,
+                natoms_vec,
+                mesh,
+                data_efield,
+                strict=True,
             ):
                 sysr, sysr2, sysa, sysa2, sysn = self._compute_dstats_sys_smth(
                     cc, bb, tt, nn, mm, ee

deepmd/tf/descriptor/se_atten.py

@@ -379,7 +379,13 @@ def compute_input_stats(
             if mixed_type:
                 sys_num = 0
                 for cc, bb, tt, nn, mm, r_n in zip(
-                    data_coord, data_box, data_atype, natoms_vec, mesh, real_natoms_vec
+                    data_coord,
+                    data_box,
+                    data_atype,
+                    natoms_vec,
+                    mesh,
+                    real_natoms_vec,
+                    strict=True,
                 ):
                     sysr, sysr2, sysa, sysa2, sysn = self._compute_dstats_sys_smth(
                         cc, bb, tt, nn, mm, mixed_type, r_n
@@ -392,7 +398,7 @@ def compute_input_stats(
                     suma2.append(sysa2)
             else:
                 for cc, bb, tt, nn, mm in zip(
-                    data_coord, data_box, data_atype, natoms_vec, mesh
+                    data_coord, data_box, data_atype, natoms_vec, mesh, strict=True
                 ):
                     sysr, sysr2, sysa, sysa2, sysn = self._compute_dstats_sys_smth(
                         cc, bb, tt, nn, mm