Enable additional Ruff rule sets and raise Python support to 3.12-3.14 (#139)

* Refactor type annotations to remove explicit numpy types in multiple files

* Enable RSE and SLOT rules

* Enable PYI rule and apply some formatting

* Enable PT rule

* Enable FA, INP, ISC, LOG rules

* Enable EM rules

* Enable COM rule

* Enable C4 rule

* Enable PLE, PLW, ASYNC rules

* Fix PLC0415 and PLC2801 ruff errors with targeted noqa

* Enable UP rule

* Enable TRY rule

* Enable PERF rule

* Update Python version compatibility to 3.12 and adjust related configurations

* Fix np.array to np.ndarray in type annotations

* Add repository name to GitHub action configuration

* Add additional Conda dependencies for osx-arm64 platform

* Update GitHub Actions workflow to add concurrency and conditional execution

* Correct typo: from "Crystall" to "Crystal"

Author: AndrewSazonov

.copier-answers.yml

@@ -5,15 +5,15 @@ _src_path: gh:easyscience/templates
 app_docs_url: https://easyscience.github.io/diffraction-app
 app_doi: 10.5281/zenodo.18163581
 app_package_name: easydiffraction_app
-app_python: '3.13'
+app_python: '3.14'
 app_repo_name: diffraction-app
 home_page_url: https://easyscience.github.io/diffraction
 home_repo_name: diffraction
 lib_docs_url: https://easyscience.github.io/diffraction-lib
 lib_doi: 10.5281/zenodo.18163581
 lib_package_name: easydiffraction
 lib_python_max: '3.14'
-lib_python_min: '3.11'
+lib_python_min: '3.12'
 lib_repo_name: diffraction-lib
 project_contact_email: support@easydiffraction.org
 project_copyright_years: 2021-2026

.github/workflows/issues-labels.yml

@@ -13,8 +13,14 @@ permissions:
 
 jobs:
   check-labels:
+    if: github.actor != 'easyscience[bot]'
+
     runs-on: ubuntu-latest
 
+    concurrency:
+      group: issue-labels-${{ github.event.issue.number }}
+      cancel-in-progress: true
+
     steps:
       - name: Checkout repository
         uses: actions/checkout@v5

.github/workflows/pypi-test.yml

@@ -51,7 +51,9 @@ jobs:
 
       - name: Add other Conda dependencies
         working-directory: easydiffraction
-        run: pixi add gsl
+        run: |
+          pixi add gsl
+          pixi add --platform osx-arm64 libcxx
 
       - name: Add easydiffraction from PyPI
         working-directory: easydiffraction

.github/workflows/test.yml

@@ -44,8 +44,8 @@ concurrency:
 # Set the environment variables to be used in all jobs defined in this workflow
 env:
   CI_BRANCH: ${{ github.head_ref || github.ref_name }}
-  PY_VERSIONS: '3.11 3.14'
-  PIXI_ENVS: 'py-311-env py-314-env'
+  PY_VERSIONS: '3.12 3.14'
+  PIXI_ENVS: 'py-312-env py-314-env'
 
 jobs:
   # Job 1: Set up environment variables

docs/docs/installation-and-setup/index.md

@@ -5,7 +5,7 @@ icon: material/cog-box
 # :material-cog-box: Installation & Setup
 
 **EasyDiffraction** is a cross-platform Python library compatible with
-**Python 3.11** through **3.14**.
+**Python 3.12** through **3.14**.
 
 EasyDiffraction is a cross-platform Python library compatible with
 **Python 3.11 through 3.13**.  

docs/docs/user-guide/parameters.md

@@ -81,7 +81,7 @@ the table.
 Below is a list of parameters used to describe the structure in
 EasyDiffraction.
 
-### Crystall structure parameters
+### Crystal structure parameters
 
 [pd-neut-cwl][3]{:.label-experiment}
 [pd-neut-tof][3]{:.label-experiment} [pd-xray][3]{:.label-experiment}

pixi.lock

@@ -63,7 +63,7 @@ easydiffraction = { path = '.', editable = true, extras = ['dev'] }
 # Specific features: Set specific Python versions
 
 [feature.py-min.dependencies]
-python = '3.11.*'
+python = '3.12.*'
 [feature.py-max.dependencies]
 python = '3.14.*'
 
@@ -75,7 +75,7 @@ python = '3.14.*'
 
 # The `default` feature is always included in all environments.
 # Additional features can be specified per environment.
-py-311-env = { features = ['default', 'py-min'] }
+py-312-env = { features = ['default', 'py-min'] }
 py-314-env = { features = ['default', 'py-max'] }
 
 # The `default` environment is always created and includes the `default` feature.

pixi.toml

@@ -17,12 +17,11 @@ classifiers = [
   'Operating System :: OS Independent',
   'Programming Language :: Python :: 3 :: Only',
   'Programming Language :: Python :: 3',
-  'Programming Language :: Python :: 3.11',
   'Programming Language :: Python :: 3.12',
   'Programming Language :: Python :: 3.13',
   'Programming Language :: Python :: 3.14',
 ]
-requires-python = '>=3.11'
+requires-python = '>=3.12'
 dependencies = [
   'essdiffraction', # ESS-specific diffraction library
   'numpy',          # Numerical computing library
@@ -221,55 +220,55 @@ select = [
   'F',   # https://docs.astral.sh/ruff/rules/#pyflakes-f
   'FLY', # https://docs.astral.sh/ruff/rules/#flynt-fly
   #'FURB', # https://docs.astral.sh/ruff/rules/#refurb-furb
-  'I',   # https://docs.astral.sh/ruff/rules/#isort-i
-  'N',   # https://docs.astral.sh/ruff/rules/#pep8-naming-n
-  'NPY', # https://docs.astral.sh/ruff/rules/#numpy-specific-rules-npy
-  'PGH', # https://docs.astral.sh/ruff/rules/#pygrep-hooks-pgh
-  #'PERF', # https://docs.astral.sh/ruff/rules/#perflint-perf
+  'I',    # https://docs.astral.sh/ruff/rules/#isort-i
+  'N',    # https://docs.astral.sh/ruff/rules/#pep8-naming-n
+  'NPY',  # https://docs.astral.sh/ruff/rules/#numpy-specific-rules-npy
+  'PGH',  # https://docs.astral.sh/ruff/rules/#pygrep-hooks-pgh
+  'PERF', # https://docs.astral.sh/ruff/rules/#perflint-perf
   #'RUF',  # https://docs.astral.sh/ruff/rules/#ruff-specific-rules-ruf
-  #'TRY',  # https://docs.astral.sh/ruff/rules/#tryceratops-try
-  #'UP',   # https://docs.astral.sh/ruff/rules/#pyupgrade-up
+  'TRY', # https://docs.astral.sh/ruff/rules/#tryceratops-try
+  'UP',  # https://docs.astral.sh/ruff/rules/#pyupgrade-up
   # pycodestyle (E, W) rules
   'E', # https://docs.astral.sh/ruff/rules/#error-e
   'W', # https://docs.astral.sh/ruff/rules/#warning-w
   # Pylint (PL) rules
-  #'PLC', # https://docs.astral.sh/ruff/rules/#convention-plc
-  #'PLE', # https://docs.astral.sh/ruff/rules/#error-ple
+  'PLC', # https://docs.astral.sh/ruff/rules/#convention-plc
+  'PLE', # https://docs.astral.sh/ruff/rules/#error-ple
   #'PLR', # https://docs.astral.sh/ruff/rules/#refactor-plr
-  #'PLW', # https://docs.astral.sh/ruff/rules/#warning-plw
+  'PLW', # https://docs.astral.sh/ruff/rules/#warning-plw
   # flake8 rules
   #'A',     # https://docs.astral.sh/ruff/rules/#flake8-builtins-a
-  'ANN', # https://docs.astral.sh/ruff/rules/#flake8-annotations-ann
-  'ARG', # https://docs.astral.sh/ruff/rules/#flake8-unused-arguments-arg
-  #'ASYNC', # https://docs.astral.sh/ruff/rules/#flake8-async-async
-  'B', # https://docs.astral.sh/ruff/rules/#flake8-bugbear-b
+  'ANN',   # https://docs.astral.sh/ruff/rules/#flake8-annotations-ann
+  'ARG',   # https://docs.astral.sh/ruff/rules/#flake8-unused-arguments-arg
+  'ASYNC', # https://docs.astral.sh/ruff/rules/#flake8-async-async
+  'B',     # https://docs.astral.sh/ruff/rules/#flake8-bugbear-b
   #'BLE',   # https://docs.astral.sh/ruff/rules/#flake8-blind-except-ble
-  #'C4',    # https://docs.astral.sh/ruff/rules/#flake8-comprehensions-c4
-  #'COM',   # https://docs.astral.sh/ruff/rules/#flake8-commas-com
+  'C4',  # https://docs.astral.sh/ruff/rules/#flake8-comprehensions-c4
+  'COM', # https://docs.astral.sh/ruff/rules/#flake8-commas-com
   'DTZ', # https://docs.astral.sh/ruff/rules/#flake8-datetimez-dtz
-  #'EM',    # https://docs.astral.sh/ruff/rules/#flake8-errmsg-em
-  #'FA',    # https://docs.astral.sh/ruff/rules/#flake8-future-annotations-fa
+  'EM',  # https://docs.astral.sh/ruff/rules/#flake8-errmsg-em
+  'FA',  # https://docs.astral.sh/ruff/rules/#flake8-future-annotations-fa
   #'FBT',   # https://docs.astral.sh/ruff/rules/#flake8-boolean-trap-fbt
   #'FIX',   # https://docs.astral.sh/ruff/rules/#flake8-fixme-fix
   'G',   # https://docs.astral.sh/ruff/rules/#flake8-logging-format-g
   'ICN', # https://docs.astral.sh/ruff/rules/#flake8-import-conventions-icn
-  #'INP',   # https://docs.astral.sh/ruff/rules/#flake8-no-pep420-inp
-  #'ISC',   # https://docs.astral.sh/ruff/rules/#flake8-implicit-str-concat-isc
-  #'LOG',   # https://docs.astral.sh/ruff/rules/#flake8-logging-log
+  'INP', # https://docs.astral.sh/ruff/rules/#flake8-no-pep420-inp
+  'ISC', # https://docs.astral.sh/ruff/rules/#flake8-implicit-str-concat-isc
+  'LOG', # https://docs.astral.sh/ruff/rules/#flake8-logging-log
   #'PIE',   # https://docs.astral.sh/ruff/rules/#flake8-pie-pie
-  #'PT',    # https://docs.astral.sh/ruff/rules/#flake8-pytest-style-pt
+  'PT',  # https://docs.astral.sh/ruff/rules/#flake8-pytest-style-pt
   'PTH', # https://docs.astral.sh/ruff/rules/#flake8-use-pathlib-pth
-  #'PYI',   # https://docs.astral.sh/ruff/rules/#flake8-pyi-pyi
+  'PYI', # https://docs.astral.sh/ruff/rules/#flake8-pyi-pyi
   #'RET',   # https://docs.astral.sh/ruff/rules/#flake8-return-ret
-  #'RSE',   # https://docs.astral.sh/ruff/rules/#flake8-raise-rse
+  'RSE', # https://docs.astral.sh/ruff/rules/#flake8-raise-rse
   'S',   # https://docs.astral.sh/ruff/rules/#flake8-bandit-s
   'SIM', # https://docs.astral.sh/ruff/rules/#flake8-simplify-sim
   #'SLF',   # https://docs.astral.sh/ruff/rules/#flake8-self-slf
-  #'SLOT',  # https://docs.astral.sh/ruff/rules/#flake8-slots-slot
+  'SLOT', # https://docs.astral.sh/ruff/rules/#flake8-slots-slot
   #'T20',   # https://docs.astral.sh/ruff/rules/#flake8-print-t20
-  #'TC',    # https://docs.astral.sh/ruff/rules/#flake8-type-checking-tc
+  'TC', # https://docs.astral.sh/ruff/rules/#flake8-type-checking-tc
   #'TD',    # https://docs.astral.sh/ruff/rules/#flake8-todos-td
-  #'TID',   # https://docs.astral.sh/ruff/rules/#flake8-tidy-imports-tid
+  'TID', # https://docs.astral.sh/ruff/rules/#flake8-tidy-imports-tid
 ]
 
 # Exceptions to the linting rules
@@ -318,6 +317,7 @@ ignore = [
   'PLR',
   'PLW',
   'SIM117',
+  'TRY',
   'W505',
 ]
 'docs/**' = [

pyproject.toml

@@ -18,7 +18,7 @@
 @app.callback(invoke_without_command=True)
 def main(
     ctx: typer.Context,
-    version: bool = typer.Option(  # noqa: FBT003 - boolean option is intended
+    version: bool = typer.Option(
         False,
         '--version',
         '-V',
@@ -53,7 +53,7 @@ def download_tutorial(
         help='Directory to save the tutorial into.',
     ),
     overwrite: bool = typer.Option(
-        False,  # noqa: FBT003 - boolean option is intended
+        False,
         '--overwrite',
         '-o',
         help='Overwrite existing file if present.',
@@ -72,7 +72,7 @@ def download_all_tutorials(
         help='Directory to save the tutorials into.',
     ),
     overwrite: bool = typer.Option(
-        False,  # noqa: FBT003 - boolean option is intended
+        False,
         '--overwrite',
         '-o',
         help='Overwrite existing files if present.',