fix: set correct inputs in the workflow and update pre-commit

.github/workflows/build-wheel-release-upload.yml

@@ -12,7 +12,7 @@ jobs:
     with:
       project: diffpy.apps
       c_extension: false
-      maintainer_GITHUB_username: ycexiao, sbillinge
+      maintainer_GITHUB_username: sbillinge
     secrets:
       PYPI_TOKEN: ${{ secrets.PYPI_TOKEN }}
       PAT_TOKEN: ${{ secrets.PAT_TOKEN }}

.pre-commit-config.yaml

@@ -11,56 +11,61 @@ ci:
   submodules: false
 repos:
   - repo: https://github.com/pre-commit/pre-commit-hooks
-    rev: v4.6.0
+    rev: v6.0.0
     hooks:
       - id: check-yaml
+        exclude: '^{{ cookiecutter.github_repo_name }}/.*\.yml$' # {{ cookiecutter.github_repo_name }} contains jinja variables in .yml, hook fails
       - id: end-of-file-fixer
       - id: trailing-whitespace
       - id: check-case-conflict
       - id: check-merge-conflict
       - id: check-toml
+        exclude: '^{{ cookiecutter.github_repo_name }}/.*\.toml$' # {{ cookiecutter.github_repo_name }} contains jinja variables in pyproject.toml, hook fails
       - id: check-added-large-files
   - repo: https://github.com/psf/black
-    rev: 24.4.2
+    rev: 26.3.1
     hooks:
       - id: black
+        exclude: '^({{ cookiecutter.github_repo_name }}/.*\.py|hooks/post_gen_project\.py)$' # {{ cookiecutter.github_repo_name }} contains jinja variables in .py, hook fails. hooks/post_gen_project.py contains jinja variables of # (c) {% now 'utc', '%Y' %} which is not a valid black format
   - repo: https://github.com/pycqa/flake8
-    rev: 7.0.0
+    rev: 7.3.0
     hooks:
       - id: flake8
   - repo: https://github.com/pycqa/isort
-    rev: 5.13.2
+    rev: 8.0.1
     hooks:
       - id: isort
+        exclude: "{{ cookiecutter.github_repo_name }}/tests/test_functions.py" # ignore test_functions.py as it contains jinja variables
         args: ["--profile", "black"]
   - repo: https://github.com/kynan/nbstripout
-    rev: 0.7.1
+    rev: 0.9.1
     hooks:
       - id: nbstripout
   - repo: https://github.com/pre-commit/pre-commit-hooks
-    rev: v4.4.0
+    rev: v6.0.0
     hooks:
       - id: no-commit-to-branch
         name: Prevent Commit to Main Branch
         args: ["--branch", "main"]
         stages: [pre-commit]
   - repo: https://github.com/codespell-project/codespell
-    rev: v2.3.0
+    rev: v2.4.2
     hooks:
       - id: codespell
         additional_dependencies:
           - tomli
   # prettier - multi formatter for .json, .yml, and .md files
   - repo: https://github.com/pre-commit/mirrors-prettier
-    rev: f12edd9c7be1c20cfa42420fd0e6df71e42b51ea # frozen: v4.0.0-alpha.8
+    rev: v4.0.0-alpha.8
     hooks:
       - id: prettier
         additional_dependencies:
           - "prettier@^3.2.4"
-  # docformatter - PEP 257 compliant docstring formatter
-  - repo: https://github.com/s-weigand/docformatter
-    rev: 5757c5190d95e5449f102ace83df92e7d3b06c6c
+        types: [yaml, markdown, json]
+  # ruff - An extremely fast Python linter and code formatter, written in Rust.
+  - repo: https://github.com/astral-sh/ruff-pre-commit
+    rev: v0.15.12
     hooks:
-      - id: docformatter
-        additional_dependencies: [tomli]
-        args: [--in-place, --config, ./pyproject.toml]
+      - id: ruff-check
+        args: [--fix, --config=pyproject.toml]
+        exclude: ^\{\{\s*cookiecutter\.github_repo_name\s*\}\}/

news/fix-workflow.rst

@@ -0,0 +1,23 @@
+**Added:**
+
+* No news added: Fix workflow inputs.
+
+**Changed:**
+
+* <news item>
+
+**Deprecated:**
+
+* <news item>
+
+**Removed:**
+
+* <news item>
+
+**Fixed:**
+
+* <news item>
+
+**Security:**
+
+* <news item>

news/tmp.rst

@@ -1,6 +1,6 @@
 **Added:**
 
-* No news added: 
+* No news added:
 
 **Changed:**
 

src/diffpy/apps/pdfadapter.py

@@ -3,6 +3,8 @@
 from pathlib import Path
 
 import numpy
+from scipy.optimize import least_squares
+
 from diffpy.srfit.fitbase import (
     FitContribution,
     FitRecipe,
@@ -12,7 +14,6 @@
 from diffpy.srfit.pdf import PDFGenerator, PDFParser
 from diffpy.srfit.structure import constrainAsSpaceGroup
 from diffpy.structure.parsers import getParser
-from scipy.optimize import least_squares
 
 
 class PDFAdapter:

tests/helper.py

@@ -1,4 +1,5 @@
 import numpy as np
+
 from diffpy.srfit.fitbase import FitContribution, FitRecipe, Profile
 from diffpy.srfit.pdf import PDFGenerator, PDFParser
 from diffpy.srfit.structure import constrainAsSpaceGroup