Fix: pyright error: Type "floating[Any]" is not assignable to return type "ndarray[Unknown, Unknown]" (#765)

Author: wanghan-iapcm

.github/workflows/test.yml

@@ -6,7 +6,7 @@ on:
 
 jobs:
   build:
-    runs-on: ubuntu-latest
+    runs-on: ubuntu-22.04
     strategy:
       matrix:
         python-version: ["3.7", "3.8", "3.12"]

.pre-commit-config.yaml

@@ -21,7 +21,7 @@ repos:
 # Python
 -   repo: https://github.com/astral-sh/ruff-pre-commit
     # Ruff version.
-    rev: v0.8.1
+    rev: v0.8.2
     hooks:
     - id: ruff
       args: ["--fix"]

dpdata/stat.py

@@ -2,13 +2,14 @@
 
 from abc import ABCMeta, abstractmethod
 from functools import lru_cache
+from typing import Any
 
 import numpy as np
 
 from dpdata.system import LabeledSystem, MultiSystems
 
 
-def mae(errors: np.ndarray) -> np.float64:
+def mae(errors: np.ndarray) -> np.floating[Any]:
     """Compute the mean absolute error (MAE).
 
     Parameters
@@ -18,13 +19,13 @@ def mae(errors: np.ndarray) -> np.float64:
 
     Returns
     -------
-    np.float64
+    floating[Any]
         mean absolute error (MAE)
     """
     return np.mean(np.abs(errors))
 
 
-def rmse(errors: np.ndarray) -> np.float64:
+def rmse(errors: np.ndarray) -> np.floating[Any]:
     """Compute the root mean squared error (RMSE).
 
     Parameters
@@ -34,7 +35,7 @@ def rmse(errors: np.ndarray) -> np.float64:
 
     Returns
     -------
-    np.float64
+    floating[Any]
         root mean squared error (RMSE)
     """
     return np.sqrt(np.mean(np.square(errors)))
@@ -74,22 +75,22 @@ def f_errors(self) -> np.ndarray:
         """Force errors."""
 
     @property
-    def e_mae(self) -> np.float64:
+    def e_mae(self) -> np.floating[Any]:
         """Energy MAE."""
         return mae(self.e_errors)
 
     @property
-    def e_rmse(self) -> np.float64:
+    def e_rmse(self) -> np.floating[Any]:
         """Energy RMSE."""
         return rmse(self.e_errors)
 
     @property
-    def f_mae(self) -> np.float64:
+    def f_mae(self) -> np.floating[Any]:
         """Force MAE."""
         return mae(self.f_errors)
 
     @property
-    def f_rmse(self) -> np.float64:
+    def f_rmse(self) -> np.floating[Any]:
         """Force RMSE."""
         return rmse(self.f_errors)
 

dpdata/system.py

@@ -1049,6 +1049,7 @@ def remove_atom_names(self, atom_names: str | list[str]):
             atom_idx = self.data["atom_types"] == idx
             removed_atom_idx.append(atom_idx)
         picked_atom_idx = ~np.any(removed_atom_idx, axis=0)
+        assert not isinstance(picked_atom_idx, np.bool_)
         new_sys = self.pick_atom_idx(picked_atom_idx)
         # let's remove atom_names
         # firstly, rearrange atom_names and put these atom_names in the end

tests/test_abacus_pw_scf.py

@@ -158,7 +158,7 @@ def test_noforcestress_job(self):
         # check below will not throw error
         system_ch4 = dpdata.LabeledSystem("abacus.scf", fmt="abacus/scf")
         # check the returned force is empty
-        self.assertFalse(system_ch4.data["forces"])
+        self.assertFalse(system_ch4.data["forces"].size)
         self.assertTrue("virials" not in system_ch4.data)
         # test append self
         system_ch4.append(system_ch4)