Switch to pyproject.toml and uv for build

.github/workflows/build.yaml

@@ -1,21 +1,6 @@
 ---
 name: build
 
-# -----------------
-# Control variables (GitHub Secrets)
-# -----------------
-#
-# At the GitHub 'organisation' or 'project' level you must have the following
-# GitHub 'Repository Secrets' defined (i.e. via 'Settings -> Secrets'): -
-#
-# (none)
-#
-# -----------
-# Environment (GitHub Environments)
-# -----------
-#
-# Environment         (none)
-
 on:
   push:
     branches:
@@ -32,30 +17,23 @@ jobs:
     strategy:
       matrix:
         python-version:
-        - '3.10'
+        - '3.11'
+        - '3.12'
+        - '3.13'
+        - '3.14'
     steps:
     - name: Checkout
-      uses: actions/checkout@v4
+      uses: actions/checkout@v6
     - name: Set up Python ${{ matrix.python-version }}
-      uses: actions/setup-python@v5
+      uses: actions/setup-python@v6
       with:
         python-version: ${{ matrix.python-version }}
     - name: Install requirements
-      run: |
-        python -m pip install --upgrade pip
-        python -m pip install --upgrade build
-        pip install -r requirements.txt
-        pip install -r build-requirements.txt
+      run: pip install uv
     - name: Static Analysis
       run: |
-        pre-commit run --all-files
-        pyroma .
+        uv run pre-commit run --all-files
     - name: Build
-      run: |
-        python -m build --sdist --wheel --outdir dist/
+      run: uv build
     - name: Compile Documentation
-      run: |
-        pip install -r docs-requirements.txt
-        sphinx-build -b html docs _readthedocs/html/
-      env:
-        PYTHONPATH: ./src
+      run: uv run sphinx-build -b html docs _readthedocs/html/

.github/workflows/publish.yaml

@@ -1,45 +1,52 @@
 ---
-name: publish
-
-# Actions for any tag.
 
-# -----------------
-# Control variables (GitHub Secrets)
-# -----------------
-#
-# None
-#
-# -----------
-# Environment (GitHub Environments)
-# -----------
-#
-# Environment         (none)
+# Publish the application to PyPI
+name: publish
 
 on:
   push:
     tags:
     - '**'
 
 jobs:
-  build-and-publish:
+  build:
     runs-on: ubuntu-latest
-    permissions:
-      id-token: write  # IMPORTANT: this permission is mandatory for trusted publishing
     steps:
     - name: Checkout
-      uses: actions/checkout@v4
+      uses: actions/checkout@v6
     - name: Inject slug/short variables
-      uses: rlespinasse/github-slug-action@v4
+      uses: rlespinasse/github-slug-action@v5
     - name: Set up Python
-      uses: actions/setup-python@v5
+      uses: actions/setup-python@v6
       with:
-        python-version: '3.10'
-    - name: Install dependencies
-      run: |
-        python -m pip install --upgrade pip
-        python -m pip install --upgrade build
+        python-version: '3.14'
+    - name: Install build dependencies
+      run: pip install uv
     - name: Build
       run: |
-        python -m build --sdist --wheel --outdir dist/
+        uv version $GITHUB_REF_SLUG
+        uv build
+    - name: Store the distribution
+      uses: actions/upload-artifact@v5
+      with:
+        name: python-package-distribution
+        path: dist/
+
+  publish:
+    name: Publish to PyPI
+    needs:
+    - build
+    runs-on: ubuntu-latest
+    environment:
+      name: pypi
+      url: https://pypi.org/p/im-squonk2-client
+    permissions:
+      id-token: write
+    steps:
+    - name: Download distribution
+      uses: actions/download-artifact@v6
+      with:
+        name: python-package-distribution
+        path: dist/
     - name: Publish
       uses: pypa/gh-action-pypi-publish@release/v1

.pre-commit-config.yaml

@@ -1,5 +1,5 @@
 ---
-minimum_pre_commit_version: 2.20.0
+minimum_pre_commit_version: 4.5.1
 exclude: ^(docs|tests)
 
 repos:
@@ -9,7 +9,7 @@ repos:
 
 # Conventional Commit message checker (commitizen)
 - repo: https://github.com/commitizen-tools/commitizen
-  rev: v2.28.1
+  rev: v4.13.9
   hooks:
   - id: commitizen
     stages:
@@ -20,7 +20,7 @@ repos:
 
 # Standard pre-commit rules
 - repo: https://github.com/pre-commit/pre-commit-hooks
-  rev: v4.5.0
+  rev: v6.0.0
   hooks:
   - id: check-case-conflict
   - id: check-executables-have-shebangs
@@ -30,39 +30,28 @@ repos:
   - id: trailing-whitespace
     args:
     - --markdown-linebreak-ext=md
-# Black (uncompromising) Python code formatter
-- repo: https://github.com/psf/black
-  rev: 24.2.0
+
+# Checking packaging
+- repo: https://github.com/regebro/pyroma
+  rev: 5.0.1
   hooks:
-  - id: black
-    args:
-    - --target-version
-    - py310
-# MyPy
-- repo: https://github.com/pre-commit/mirrors-mypy
-  rev: v1.8.0
+  - id: pyroma
+
+# Ruff
+- repo: https://github.com/astral-sh/ruff-pre-commit
+  rev: v0.15.6
   hooks:
-  - id: mypy
-    files: ^src
+  - id: ruff-check
     args:
-    - --ignore-missing-imports
-    additional_dependencies:
-    - types-protobuf
-    - types-PyYAML
-    - types-python-dateutil
-    - types-pytz
-    - types-requests
-# Pylint
-# To check import errors we need to install every package
-# used by the DM. This is often impractical on the client,
-# and so we disable import errors on pre-commit and rely
-# on this category of test in the CI stage. Consequently,
-# pylint may pass on pre-commit but fail in CI - but at least
-# the user has done 90% of the lint checks before the code
-# hits the server.
-- repo: https://github.com/pycqa/pylint
-  rev: v3.1.0
+    - --fix
+  - id: ruff-format
+
+# Ty (Experimental)
+- repo: local
   hooks:
-  - id: pylint
-    args:
-    - --disable=import-error
+  - id: ty
+    name: ty check
+    entry: ty check .
+    language: system
+    pass_filenames: false
+    always_run: true

.readthedocs.yaml

@@ -7,7 +7,7 @@ version: 2
 build:
   os: ubuntu-20.04
   tools:
-    python: "3.10"
+    python: "3.11"
   commands:
   - pip install --upgrade pip
   - pip install -r requirements.txt

CONTRIBUTING.md

@@ -4,39 +4,40 @@ The project uses: -
 - [pre-commit] to enforce linting of files prior to committing them to the
   repository
 - [Commitizen] to enforce a [Convention Commit] commit message format
-- [Black] as a code formatter
+- [ruff] as a code linter and formatter
+- [uv] for project management
 
 You **MUST** comply with these choices in order to  contribute to the project.
 
 To get started review the pre-commit utility and the conventional commit style
 and then set-up your local clone by following the **Installation** and
 **Quick Start** sections: -
 
-    pip install --upgrade pip
-    pip install -r build-requirements.txt
-    pre-commit install -t commit-msg -t pre-commit
+    uv venv
+    uv sync --group dev
+    uv run pre-commit install -t commit-msg -t pre-commit
 
 Now the project's rules will run on every commit, and you can check the
 current health of your clone with: -
 
-    pre-commit run --all-files
+    uv run pre-commit run --all-files
 
 ## Local Development
 You can build and install the package locally using the same process used
 by the GitHib Actions: -
 
-    pip install build
-    rm -rf /dist/*
-    python -m build --sdist --wheel --outdir dist/
-    pip install dist/im-squonk2-client-*.tar.gz
+    rm -rf dist/*
+    uv build
+    pip install dist/im_squonk2_client-*.tar.gz
 
 And then uninstall using pip: -
 
-    pip uninstall -y im-squonk2-client
+    pip uninstall im-squonk2-client -y
 
 ---
 
-[black]: https://black.readthedocs.io/en/stable
+[ruff]: https://docs.astral.sh/ruff
 [commitizen]: https://commitizen-tools.github.io/commitizen/
 [conventional commit]: https://www.conventionalcommits.org/en/v1.0.0/
 [pre-commit]: https://pre-commit.com
+[uv]: https://docs.astral.sh/uv/

docs/conf.py

@@ -12,31 +12,31 @@
 #
 import os
 import sys
-sys.path.insert(0, os.path.abspath('..'))
-sys.path.append(os.path.abspath(
-    os.path.join(os.path.dirname(__file__), "../src")
-))
+
+sys.path.insert(0, os.path.abspath(".."))
+sys.path.append(os.path.abspath(os.path.join(os.path.dirname(__file__), "../src")))
 
 # -- Project information -----------------------------------------------------
 
-project = 'Squonk2 Python Client'
-copyright = '2022, Alan Christie'
-author = 'Alan Christie'
+project = "Squonk2 Python Client"
+copyright = "2022, Alan Christie"
+author = "Alan Christie"
 
 # The full version, including alpha/beta/rc tags
-release = '1.0'
+release = "1.0"
 
 
 # -- General configuration ---------------------------------------------------
 
 # Add any Sphinx extension module names here, as strings. They can be
 # extensions coming with Sphinx (named 'sphinx.ext.*') or your custom
 # ones.
-extensions = ['sphinx.ext.autodoc',
+extensions = [
+    "sphinx.ext.autodoc",
 ]
 
 # Add any paths that contain templates here, relative to this directory.
-templates_path = ['_templates']
+templates_path = ["_templates"]
 
 # List of patterns, relative to source directory, that match files and
 # directories to ignore when looking for source files.
@@ -49,9 +49,9 @@
 # The theme to use for HTML and HTML Help pages.  See the documentation for
 # a list of builtin themes.
 #
-html_theme = 'sphinx_rtd_theme'
+html_theme = "sphinx_rtd_theme"
 
 # Add any paths that contain custom static files (such as style sheets) here,
 # relative to this directory. They are copied after the builtin static files,
 # so a file named "default.css" will overwrite the builtin "default.css".
-html_static_path = ['_static']
+html_static_path = ["_static"]

examples/calc_rdkit_props.py

@@ -7,6 +7,7 @@
 'https://data-manager.xchem-dev.diamond.ac.uk/data-manager-api' or set the
 API URL programmatically with a call to DmApi.set_api_url().
 """
+
 import os
 import sys
 import time
@@ -89,7 +90,7 @@
 
 # We can now use the 'task_id' to query the state of the running Job
 # (an instance). When we receive 'done' the Job's finished.
-ITERATIONS = 0
+ITERATIONS = 0  # pylint: disable=invalid-name
 while True:
     if ITERATIONS > 10:
         print("TIMEOUT")

examples/get_token.py

@@ -1,6 +1,6 @@
 #!/usr/bin/env python
-"""Get and print a Squonk2 access token.
-"""
+"""Get and print a Squonk2 access token."""
+
 import argparse
 import os