Skip to content
Merged
Show file tree
Hide file tree
Changes from all commits
Commits
File filter

Filter by extension

Filter by extension

Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
14 changes: 7 additions & 7 deletions .pre-commit-config.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -8,7 +8,7 @@ ci:

repos:
- repo: https://github.com/astral-sh/ruff-pre-commit
rev: v0.12.11
rev: v0.14.7
hooks:
- id: ruff
args: [--fix, --unsafe-fixes]
Expand All @@ -22,7 +22,7 @@ repos:
- id: trailing-whitespace

- repo: https://github.com/pre-commit/mirrors-mypy
rev: v1.17.1
rev: v1.19.0
hooks:
- id: mypy

Expand All @@ -36,19 +36,19 @@ repos:
exclude: src/pymatgen/analysis/aflow_prototypes.json

- repo: https://github.com/MarcoGorelli/cython-lint
rev: v0.16.7
rev: v0.18.1
hooks:
- id: cython-lint
args: [--no-pycodestyle]
- id: double-quote-cython-strings

- repo: https://github.com/adamchainz/blacken-docs
rev: 1.19.1
rev: 1.20.0
hooks:
- id: blacken-docs

- repo: https://github.com/igorshubovych/markdownlint-cli
rev: v0.45.0
rev: v0.46.0
hooks:
- id: markdownlint
# MD013: line too long
Expand All @@ -59,12 +59,12 @@ repos:
args: [--disable, MD013, MD024, MD025, MD033, MD041, "--"]

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

- repo: https://github.com/RobertCraigie/pyright-python
rev: v1.1.404
rev: v1.1.407
hooks:
- id: pyright
2 changes: 1 addition & 1 deletion src/pymatgen/db/cli.py
Original file line number Diff line number Diff line change
Expand Up @@ -9,9 +9,9 @@
import multiprocessing
import sys

from pymatgen.apps.borg.queen import BorgQueen
from pymongo import ASCENDING, MongoClient

from pymatgen.apps.borg.queen import BorgQueen
from pymatgen.db import SETTINGS

from .config import DBConfig, get_settings
Expand Down
5 changes: 2 additions & 3 deletions src/pymatgen/db/creator.py
Original file line number Diff line number Diff line change
Expand Up @@ -21,8 +21,6 @@
import numpy as np
from monty.io import zopen
from monty.json import MontyEncoder
from pymongo import MongoClient

from pymatgen.analysis.bond_valence import BVAnalyzer
from pymatgen.analysis.local_env import VoronoiNN
from pymatgen.analysis.structure_analyzer import oxide_type
Expand All @@ -34,6 +32,7 @@
from pymatgen.io.cif import CifWriter
from pymatgen.io.vasp import Incar, Kpoints, Oszicar, Outcar, Poscar, Potcar, Vasprun
from pymatgen.symmetry.analyzer import SpacegroupAnalyzer
from pymongo import MongoClient

__author__ = "Shyue Ping Ong"
__copyright__ = "Copyright 2012, The Materials Project"
Expand Down Expand Up @@ -587,7 +586,7 @@ def get_valid_paths(self, path):
3. Directories containing vasp output with ".relax1" and ".relax2" are
also considered as 2 parts of an aflow style run.
"""
(parent, subdirs, files) = path
(parent, subdirs, _files) = path
if set(self.runs).intersection(subdirs):
return [parent]
if (
Expand Down
1 change: 0 additions & 1 deletion src/pymatgen/db/matproj.py
Original file line number Diff line number Diff line change
Expand Up @@ -9,7 +9,6 @@
import itertools

import pymongo

from pymatgen.entries.computed_entries import ComputedStructureEntry
from pymatgen.ext.matproj import MPRester

Expand Down
1 change: 0 additions & 1 deletion src/pymatgen/db/query_engine.py
Original file line number Diff line number Diff line change
Expand Up @@ -23,7 +23,6 @@

import gridfs
import pymongo

from pymatgen.core import Composition, Structure
from pymatgen.electronic_structure.core import Orbital, Spin
from pymatgen.electronic_structure.dos import CompleteDos, Dos
Expand Down
Loading