Skip to content

Commit 247fc76

Browse files
committed
Merge remote-tracking branch 'pmg/master' into ppd-to-json
2 parents 082e449 + 7b92f9a commit 247fc76

File tree

28 files changed

+2375
-2247
lines changed

28 files changed

+2375
-2247
lines changed

.github/workflows/lint.yml

Lines changed: 0 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -31,8 +31,5 @@ jobs:
3131
uv run ruff check .
3232
uv run ruff format --check .
3333
34-
- name: mypy
35-
run: uv run mypy -p pymatgen
36-
3734
- name: pyright
3835
run: uv run pyright src

.pre-commit-config.yaml

Lines changed: 4 additions & 4 deletions
Original file line numberDiff line numberDiff line change
@@ -8,7 +8,7 @@ ci:
88

99
repos:
1010
- repo: https://github.com/astral-sh/ruff-pre-commit
11-
rev: v0.14.3
11+
rev: v0.14.7
1212
hooks:
1313
- id: ruff
1414
args: [--fix, --unsafe-fixes]
@@ -22,7 +22,7 @@ repos:
2222
- id: trailing-whitespace
2323

2424
- repo: https://github.com/pre-commit/mirrors-mypy
25-
rev: v1.18.2
25+
rev: v1.19.0
2626
hooks:
2727
- id: mypy
2828
entry: mypy -p pymatgen
@@ -50,7 +50,7 @@ repos:
5050
- id: blacken-docs
5151

5252
- repo: https://github.com/igorshubovych/markdownlint-cli
53-
rev: v0.45.0
53+
rev: v0.46.0
5454
hooks:
5555
- id: markdownlint
5656
# MD013: line too long
@@ -61,7 +61,7 @@ repos:
6161
args: [--disable, MD013, MD024, MD025, MD033, MD041, "--"]
6262

6363
- repo: https://github.com/kynan/nbstripout
64-
rev: 0.8.1
64+
rev: 0.8.2
6565
hooks:
6666
- id: nbstripout
6767
args: [--drop-empty-cells, --keep-output]

pyproject.toml

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -98,9 +98,9 @@ ase = ["ase>=3.23.0"]
9898
# electronic_structure = ["fdint>=2.0.2"]
9999
matcalc = [
100100
"matcalc>=0.4.0; python_version<'3.13'",
101-
"matgl>=1.2.7; python_version<'3.13'",
101+
"matgl>=2.0.4; python_version<'3.13'",
102102
]
103-
mlp = ["matgl>=1.2.7 ; python_version<'3.13'"]
103+
mlp = ["matgl>=2.0.4 ; python_version<'3.13'"]
104104
numba = ["numba>=0.55; python_version<'3.14'"]
105105
numpy-v1 = ["numpy>=1.25.0,<2"] # Test NP1 on Windows (quite buggy ATM)
106106
optional = [

src/pymatgen/analysis/adsorption.py

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -22,7 +22,7 @@
2222
from pymatgen.util.coord import in_coord_list_pbc
2323

2424
if TYPE_CHECKING:
25-
import matplotlib.pyplot as plt
25+
from matplotlib.axes import Axes
2626
from numpy.typing import ArrayLike
2727
from typing_extensions import Self
2828

@@ -636,7 +636,7 @@ def reorient_z(structure):
636636

637637
def plot_slab(
638638
slab: Slab,
639-
ax: plt.Axes,
639+
ax: Axes,
640640
scale=0.8,
641641
repeat=5,
642642
window=1.5,

src/pymatgen/analysis/chemenv/connectivity/structure_connectivity.py

Lines changed: 1 addition & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -3,6 +3,7 @@
33
from __future__ import annotations
44

55
import collections
6+
import collections.abc
67
import logging
78
from typing import TYPE_CHECKING
89

0 commit comments

Comments
 (0)