From 149e11544c62237421118770328171b02eca7b0d Mon Sep 17 00:00:00 2001
From: Janosh Riebesell <janosh.riebesell@gmail.com>
Date: Sat, 7 Sep 2024 16:48:59 -0400
Subject: [PATCH] fix typos in AimsSpeciesFile and AimsOutCalcChunk

---
 .pre-commit-config.yaml         |  6 ++---
 src/pymatgen/io/aims/inputs.py  | 40 ++++++++++++++++-----------------
 src/pymatgen/io/aims/parsers.py | 12 +++++-----
 3 files changed, 29 insertions(+), 29 deletions(-)

diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml
index 7596d1850a5..2a8967994f5 100644
--- a/.pre-commit-config.yaml
+++ b/.pre-commit-config.yaml
@@ -8,7 +8,7 @@ ci:
 
 repos:
   - repo: https://github.com/astral-sh/ruff-pre-commit
-    rev: v0.6.0
+    rev: v0.6.4
     hooks:
       - id: ruff
         args: [--fix, --unsafe-fixes]
@@ -22,7 +22,7 @@ repos:
       - id: trailing-whitespace
 
   - repo: https://github.com/pre-commit/mirrors-mypy
-    rev: v1.11.1
+    rev: v1.11.2
     hooks:
       - id: mypy
 
@@ -65,6 +65,6 @@ repos:
         args: [--drop-empty-cells, --keep-output]
 
   - repo: https://github.com/RobertCraigie/pyright-python
-    rev: v1.1.376
+    rev: v1.1.379
     hooks:
       - id: pyright
diff --git a/src/pymatgen/io/aims/inputs.py b/src/pymatgen/io/aims/inputs.py
index 0935ead99f8..8dd8d01c1d2 100644
--- a/src/pymatgen/io/aims/inputs.py
+++ b/src/pymatgen/io/aims/inputs.py
@@ -705,35 +705,35 @@ def __init__(self, data: str, label: str | None = None) -> None:
                 if "species" in line:
                     self.label = line.split()[1]
 
-    def __eq__(self, sepcies_2: object) -> bool:
-        """Returns if two speceies are equal"""
-        if not isinstance(sepcies_2, AimsSpeciesFile):
+    def __eq__(self, other: object) -> bool:
+        """True if two species are equal."""
+        if not isinstance(other, AimsSpeciesFile):
             return NotImplemented
-        return self.data == sepcies_2.data
+        return self.data == other.data
 
-    def __lt__(self, sepcies_2: object) -> bool:
-        """Returns if two speceies are equal"""
-        if not isinstance(sepcies_2, AimsSpeciesFile):
+    def __lt__(self, other: object) -> bool:
+        """True if self is less than other."""
+        if not isinstance(other, AimsSpeciesFile):
             return NotImplemented
-        return self.data < sepcies_2.data
+        return self.data < other.data
 
-    def __le__(self, sepcies_2: object) -> bool:
-        """Returns if two speceies are equal"""
-        if not isinstance(sepcies_2, AimsSpeciesFile):
+    def __le__(self, other: object) -> bool:
+        """True if self is less than or equal to other."""
+        if not isinstance(other, AimsSpeciesFile):
             return NotImplemented
-        return self.data <= sepcies_2.data
+        return self.data <= other.data
 
-    def __gt__(self, sepcies_2: object) -> bool:
-        """Returns if two speceies are equal"""
-        if not isinstance(sepcies_2, AimsSpeciesFile):
+    def __gt__(self, other: object) -> bool:
+        """True if self is greater than other."""
+        if not isinstance(other, AimsSpeciesFile):
             return NotImplemented
-        return self.data > sepcies_2.data
+        return self.data > other.data
 
-    def __ge__(self, sepcies_2: object) -> bool:
-        """Returns if two speceies are equal"""
-        if not isinstance(sepcies_2, AimsSpeciesFile):
+    def __ge__(self, other: object) -> bool:
+        """True if self is greater than or equal to other."""
+        if not isinstance(other, AimsSpeciesFile):
             return NotImplemented
-        return self.data >= sepcies_2.data
+        return self.data >= other.data
 
     @classmethod
     def from_file(cls, filename: str, label: str | None = None) -> AimsSpeciesFile:
diff --git a/src/pymatgen/io/aims/parsers.py b/src/pymatgen/io/aims/parsers.py
index fccc628e7e7..2566f6dad9c 100644
--- a/src/pymatgen/io/aims/parsers.py
+++ b/src/pymatgen/io/aims/parsers.py
@@ -3,10 +3,10 @@
 from __future__ import annotations
 
 import gzip
+import warnings
 from dataclasses import dataclass, field
 from pathlib import Path
 from typing import TYPE_CHECKING, cast
-from warnings import warn
 
 import numpy as np
 
@@ -498,7 +498,9 @@ def _parse_structure(self) -> Structure | Molecule:
         if ((magmom := site_properties.get("magmom")) is not None) and np.abs(
             np.sum(magmom) - properties["magmom"]
         ) < 1e-3:
-            warn("Total magenetic moment and sum of Mulliken spins are not consistent", Warning, 1)
+            warnings.warn(
+                "Total magnetic moment and sum of Mulliken spins are not consistent", UserWarning, stacklevel=1
+            )
 
         if lattice is not None:
             return Structure(
@@ -517,9 +519,7 @@ def _parse_structure(self) -> Structure | Molecule:
             properties=properties,
         )
 
-    def _parse_lattice_atom_pos(
-        self,
-    ) -> tuple[list[str], list[Vector3D], list[Vector3D], Lattice | None]:
+    def _parse_lattice_atom_pos(self) -> tuple[list[str], list[Vector3D], list[Vector3D], Lattice | None]:
         """Parse the lattice and atomic positions of the structure.
 
         Returns:
@@ -545,7 +545,7 @@ def _parse_lattice_atom_pos(
             velocities = list(self.initial_structure.site_properties.get("velocity", []))
             lattice = self.initial_lattice
 
-            return (species, coords, velocities, lattice)
+            return species, coords, velocities, lattice
 
         line_start += 1