Use pip-compile to manage dependencies

.github/workflows/dependencies.yaml

@@ -0,0 +1,72 @@
+name: Dependencies
+
+on:
+  workflow_dispatch:
+  schedule:
+    - cron: '47 8 19 * *'
+
+permissions:
+  pull-requests: write
+  # Note: DEPENDENCY_WORKFLOW_KEY is used, such that CI will be triggered on push
+
+concurrency:
+  group: ${{ github.workflow }}
+
+jobs:
+  update-dependencies:
+    runs-on: ubuntu-24.04
+    strategy:
+      matrix:
+        python-version: [ '3.9', '3.10', '3.11', '3.12' ]
+    steps:
+      - uses: actions/checkout@v4
+        with:
+          ssh-key: ${{ secrets.DEPENDENCY_WORKFLOW_KEY }}
+      - uses: actions/setup-python@v5
+        with:
+          python-version: ${{ matrix.python-version }}
+      - run: pip install pip-tools==7.4.1
+      - name: Update dependencies
+        run: |
+          cd requirements
+          pip-compile --upgrade --no-annotate -o examples-requirements-py${{ matrix.python-version }}.txt --all-extras ../pyproject.toml examples.in
+          pip-compile --upgrade --no-annotate -o tests-requirements-py${{ matrix.python-version }}.txt examples-requirements-py${{ matrix.python-version }}.txt tests.in
+      - name: Open PR
+        uses: peter-evans/create-pull-request@v7.0.5
+        with:
+          commit-message: Dependency updates for Python ${{ matrix.python-version }}
+          author: github-actions[bot] <41898282+github-actions[bot]@users.noreply.github.com>
+          branch: deps/py${{ matrix.python-version }}
+          delete-branch: true
+          title: Dependency updates for Python ${{ matrix.python-version }}
+          labels: |
+              dependencies
+          body: |
+            Dependency updates by pip-compile
+
+  update-dependencies-docs:
+    runs-on: ubuntu-24.04
+    steps:
+      - uses: actions/checkout@v4
+        with:
+          ssh-key: ${{ secrets.DEPENDENCY_WORKFLOW_KEY }}
+      - uses: actions/setup-python@v5
+        with:
+          python-version: '3.12'
+      - run: pip install pip-tools==7.4.1
+      - name: Update dependencies
+        run: |
+          cd requirements
+          pip-compile --upgrade --no-annotate -o docs-requirements.txt examples-requirements-py3.12.txt docs.in
+      - name: Open PR
+        uses: peter-evans/create-pull-request@v7.0.5
+        with:
+          commit-message: Dependency updates for docs
+          author: github-actions[bot] <41898282+github-actions[bot]@users.noreply.github.com>
+          branch: deps/docs
+          delete-branch: true
+          title: Dependency updates for docs
+          labels: |
+              dependencies
+          body: |
+            Dependency updates by pip-compile

.github/workflows/release.yaml

@@ -73,8 +73,8 @@ jobs:
           python-version: '3.12'
       - name: Install dependencies
         run: |
+          pip install -r requirements/docs-requirements.txt
           pip install -e .
-          pip install -r docs/requirements.txt
       - name: Sphinx build
         run: |
           sphinx-build docs _build/html

.github/workflows/test.yaml

@@ -8,20 +8,22 @@ jobs:
     strategy:
       matrix:
         python-version: [ '3.9', '3.10', '3.11', '3.12' ]
-        dep-versions: [ '', '-numpy1' ]
+        dep-versions: [ '', 'numpy1' ]
         exclude:
           - python-version: '3.12'
-            dep-versions: '-numpy1'
+            dep-versions: 'numpy1'
     steps:
       - uses: actions/checkout@v4
       - uses: actions/setup-python@v5
         with:
           python-version: ${{ matrix.python-version }}
       - name: Install dependencies
         run: |
+          pip install -r requirements/tests-requirements-py${{ matrix.python-version }}.txt
+          if [[ -n "${{ matrix.dep-versions }}" ]]; then
+            pip install -r requirements/tests-requirements-var-${{ matrix.dep-versions }}.txt
+          fi
           pip install -e .
-          pip install -r tests/requirements.txt
-          pip install -r tests/requirements${{ matrix.dep-versions }}.txt
       - name: Pytest
         run: |
           cd tests
@@ -36,8 +38,8 @@ jobs:
           python-version: '3.12'
       - name: Install dependencies
         run: |
+          pip install -r requirements/docs-requirements.txt
           pip install -e .
-          pip install -r docs/requirements.txt
       - name: Sphinx build
         run: |
           sphinx-build docs _build/html

requirements/docs-requirements.txt

@@ -0,0 +1,174 @@
+#
+# This file is autogenerated by pip-compile with Python 3.12
+# by the following command:
+#
+#    pip-compile --no-annotate --output-file=docs-requirements.txt docs.in examples-requirements-py3.12.txt
+#
+accessible-pygments==0.0.5
+alabaster==1.0.0
+anyio==4.6.0
+apeye==1.4.1
+apeye-core==1.1.5
+appdirs==1.4.4
+argon2-cffi==23.1.0
+argon2-cffi-bindings==21.2.0
+arrow==1.3.0
+astroid==3.3.2
+asttokens==2.4.1
+async-lru==2.0.4
+attrs==24.2.0
+autodocsumm==0.2.13
+babel==2.16.0
+beautifulsoup4==4.12.3
+bleach==6.1.0
+cachecontrol[filecache]==0.14.0
+certifi==2024.8.30
+cffi==1.17.1
+charset-normalizer==3.3.2
+click==8.1.7
+comm==0.2.2
+contourpy==1.3.0
+cssutils==2.11.1
+cycler==0.12.1
+cython==3.0.11
+debugpy==1.8.6
+decorator==5.1.1
+defusedxml==0.7.1
+dict2css==0.3.0.post1
+docutils==0.21.2
+domdf-python-tools==3.9.0
+executing==2.1.0
+fastjsonschema==2.20.0
+filelock==3.16.1
+flexcache==0.3
+flexparser==0.3.1
+fonttools==4.54.1
+fqdn==1.5.1
+greenlet==3.1.1
+h11==0.14.0
+html5lib==1.1
+httpcore==1.0.5
+httpx==0.27.2
+idna==3.10
+imagesize==1.4.1
+importlib-metadata==8.5.0
+ipykernel==6.29.5
+ipython==8.18.1
+isoduration==20.11.0
+jedi==0.19.1
+jinja2==3.1.4
+json5==0.9.25
+jsonpointer==3.0.0
+jsonschema[format-nongpl]==4.23.0
+jsonschema-specifications==2023.12.1
+jupyter-cache==1.0.0
+jupyter-client==8.6.3
+jupyter-core==5.7.2
+jupyter-events==0.10.0
+jupyter-lsp==2.2.5
+jupyter-server==2.14.2
+jupyter-server-terminals==0.5.3
+jupyterlab==4.2.5
+jupyterlab-pygments==0.3.0
+jupyterlab-server==2.27.3
+kiwisolver==1.4.7
+lark==1.2.2
+markdown-it-py==3.0.0
+markupsafe==2.1.5
+matplotlib==3.9.2
+matplotlib-inline==0.1.7
+mdit-py-plugins==0.4.2
+mdurl==0.1.2
+mistune==3.0.2
+more-itertools==10.5.0
+msgpack==1.1.0
+myst-nb==1.1.1
+myst-parser==4.0.0
+natsort==8.4.0
+nbclient==0.10.0
+nbconvert==7.16.4
+nbformat==5.10.4
+nest-asyncio==1.6.0
+notebook-shim==0.2.4
+numpy==2.0.2
+overrides==7.7.0
+packaging==24.1
+pandas==2.2.2
+pandocfilters==1.5.1
+parso==0.8.4
+pexpect==4.9.0
+pillow==10.4.0
+pint==0.24.3
+platformdirs==4.3.6
+pockets==0.9.1
+prometheus-client==0.21.0
+prompt-toolkit==3.0.48
+psutil==6.0.0
+ptyprocess==0.7.0
+pure-eval==0.2.3
+pycparser==2.22
+pydata-sphinx-theme==0.15.4
+pygments==2.18.0
+pyparsing==3.1.4
+python-dateutil==2.9.0.post0
+python-json-logger==2.0.7
+pytz==2024.2
+pyyaml==6.0.2
+pyzmq==26.2.0
+referencing==0.35.1
+requests==2.32.3
+rfc3339-validator==0.1.4
+rfc3986-validator==0.1.1
+rpds-py==0.20.0
+ruamel-yaml==0.18.6
+ruamel-yaml-clib==0.2.8
+scipy==1.13.1
+send2trash==1.8.3
+six==1.16.0
+sniffio==1.3.1
+snowballstemmer==2.2.0
+soupsieve==2.6
+sphinx==8.0.2
+sphinx-autoapi==3.3.1
+sphinx-autodoc-typehints==2.4.1
+sphinx-codeautolink==0.15.2
+sphinx-gallery==0.17.1
+sphinx-jinja2-compat==0.3.0
+sphinx-prompt==1.9.0
+sphinx-tabs==3.4.5
+sphinx-toolbox==3.8.0
+sphinxcontrib-applehelp==2.0.0
+sphinxcontrib-devhelp==2.0.0
+sphinxcontrib-htmlhelp==2.1.0
+sphinxcontrib-jsmath==1.0.1
+sphinxcontrib-napoleon==0.7
+sphinxcontrib-qthelp==2.0.0
+sphinxcontrib-serializinghtml==2.0.0
+sqlalchemy==2.0.35
+stack-data==0.6.3
+tabulate==0.9.0
+terminado==0.18.1
+tinycss2==1.3.0
+tornado==6.4.1
+tqdm==4.66.5
+traitlets==5.14.3
+types-python-dateutil==2.9.0.20240906
+typing-extensions==4.12.2
+tzdata==2024.2
+uri-template==1.3.0
+urllib3==2.2.3
+wcwidth==0.2.13
+webcolors==24.8.0
+webencodings==0.5.1
+websocket-client==1.8.0
+xcoll==0.5.1
+xdeps==0.6.3
+xfields==0.20.3
+xobjects==0.4.4
+xpart==0.18.6
+xsuite==0.16.5
+xtrack==0.66.1
+zipp==3.20.2
+
+# The following packages are considered to be unsafe in a requirements file:
+# setuptools

requirements/docs.in

@@ -0,0 +1,12 @@
+myst-nb
+pydata-sphinx-theme
+sphinx
+sphinx-autoapi
+sphinx-autodoc-typehints
+sphinx-codeautolink
+sphinx-gallery
+sphinx-jinja2-compat
+sphinx-prompt
+sphinx-tabs
+sphinx-toolbox
+sphinxcontrib-napoleon