DX: define developer environment with uv (#23)

* DX: pin all notebook dependencies
* DX: switch to Python 3.10 in developer environment

---------

Co-authored-by: GitHub <[email protected]>
Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>

.binder/postBuild

@@ -0,0 +1,20 @@
+#!/bin/bash
+set -ex
+curl -LsSf https://pixi.sh/install.sh | bash
+export PATH="$HOME/.pixi/bin:$PATH"
+
+pixi_packages="$(NO_COLOR= pixi list --explicit --no-install | awk 'NR > 1 {print $1}')"
+if [[ -n "$pixi_packages" ]]; then
+  pixi global install $pixi_packages
+fi
+export PYTHONHASHSEED="0"
+pixi clean cache --yes
+
+uv export \
+  --extra jupyter \
+  --extra notebooks \
+  > requirements.txt
+uv pip install \
+  --requirement requirements.txt \
+  --system
+uv cache clean

.binder/runtime.txt

@@ -0,0 +1 @@
+python-3.12

.cspell.json

@@ -35,8 +35,7 @@
     ".readthedocs.yml",
     ".vscode/*",
     "docs/conf.py",
-    "pyproject.toml",
-    "tox.ini"
+    "pyproject.toml"
   ],
   "language": "en-US",
   "overrides": [
@@ -89,6 +88,7 @@
     "Mikhasenko",
     "NumPy",
     "parametrizations",
+    "Pixi",
     "plotly",
     "pyplot",
     "QRules",
@@ -172,6 +172,7 @@
     "iframe",
     "imag",
     "infty",
+    "installkernel",
     "ioff",
     "iplt",
     "ipykernel",
@@ -242,6 +243,7 @@
     "pycode",
     "pyfunc",
     "pygments",
+    "pyproject",
     "pytest",
     "quadpy",
     "rankdir",
@@ -283,6 +285,7 @@
     "unbinned",
     "unnormalized",
     "unsrt",
+    "venv",
     "viridis",
     "vmax",
     "vmin",

.editorconfig

@@ -15,3 +15,6 @@ indent_size = 4
 
 [LICENSE]
 indent_size = unset
+
+[uv.lock]
+indent_size = 4

.envrc

@@ -1,10 +1,4 @@
-if [ -e .venv ]; then
-  source .venv/bin/activate
-elif [ -e venv ]; then
-  source venv/bin/activate
-elif [ -e .pixi ]; then
-  watch_file pixi.lock
-  eval "$(pixi shell-hook)"
-else
-  layout anaconda
-fi
+watch_file pixi.lock
+eval "$(pixi shell-hook)"
+uv sync --all-extras --quiet
+source .venv/bin/activate

.github/workflows/ci.yml

@@ -28,19 +28,15 @@ on:
 
 jobs:
   doc:
-    uses: ComPWA/actions/.github/workflows/ci-docs.yml@v1
+    uses: ComPWA/actions/.github/workflows/ci-docs.yml@v2
     permissions:
       pages: write
       id-token: write
     with:
-      apt-packages: graphviz
       gh-pages: true
-      python-version: "3.12"
       specific-pip-packages: ${{ inputs.specific-pip-packages }}
   style:
     if: inputs.specific-pip-packages == ''
     secrets:
       token: ${{ secrets.PAT }}
-    uses: ComPWA/actions/.github/workflows/pre-commit.yml@v1
-    with:
-      python-version: "3.12"
+    uses: ComPWA/actions/.github/workflows/pre-commit.yml@v2

.github/workflows/clean-caches.yml

@@ -14,9 +14,9 @@ on:
 jobs:
   cleanup:
     name: Remove caches
-    runs-on: ubuntu-22.04
+    runs-on: ubuntu-24.04
     steps:
-      - uses: ComPWA/actions/clean-caches@v1
+      - uses: ComPWA/actions/clean-caches@v2
         with:
           GH_TOKEN: ${{ secrets.GITHUB_TOKEN }}
           ref: ${{ inputs.ref }}

.github/workflows/lock.yml

@@ -0,0 +1,24 @@
+name: Update
+
+concurrency:
+  group: ${{ github.workflow }}-${{ github.ref }}
+  cancel-in-progress: |-
+    ${{ github.ref != format('refs/heads/{0}', github.event.repository.default_branch) }}
+
+on:
+  pull_request:
+    branches:
+      - main
+      - epic/*
+    paths:
+      - .pre-commit-config.yaml
+      - Manifest.toml
+      - pixi.lock
+      - uv.lock
+  workflow_dispatch:
+
+jobs:
+  lock:
+    uses: ComPWA/actions/.github/workflows/lock.yml@v2
+    secrets:
+      token: ${{ secrets.PAT }}

.github/workflows/notebooks.yml

@@ -11,34 +11,16 @@ on:
 jobs:
   pytest:
     name: Test all notebooks
-    runs-on: ubuntu-20.04
+    runs-on: ubuntu-24.04
     steps:
       - uses: actions/checkout@v4
-      - uses: actions/cache@v4
-        with:
-          key: |
-            ${{ github.workflow }}-${{ github.job }}-${{ runner.os }}-${{ hashFiles('.constraints/py3.*.txt', 'setup.cfg') }}
-          path: |
-            .pytest_cache
-            ~/.cache/pip/
       - uses: actions/setup-python@v5
         with:
-          python-version: "3.9"
-      - name: Install dependencies
-        run: |
-          sudo apt-get -y install graphviz
-          pip install .[test]
-      - run: |
-          function run-nbmake() {
-            set +e
-            pytest --nbmake ${{ github.event.inputs.notebook-selector }}
-            error_code=$?
-            set -e
-            echo "Pytest returned error code $error_code"
-            case $error_code in
-              0|5) return 0;;
-              *) return $error_code;;
-            esac
-          }
-          run-nbmake
-        # cspell:ignore esac
+          python-version: "3.12"
+      - uses: astral-sh/setup-uv@v3
+        with:
+          enable-cache: true
+      - name: Install graphviz
+        run: sudo apt-get -y install graphviz
+      - name: Run all notebooks
+        run: uv run --extra test pytest ${{ github.event.inputs.notebook-selector }}

.github/workflows/pr-linting.yml

@@ -11,4 +11,4 @@ on:
 
 jobs:
   lint-pr:
-    uses: ComPWA/actions/.github/workflows/pr-linting.yml@v1
+    uses: ComPWA/actions/.github/workflows/pr-linting.yml@v2

.gitignore

@@ -21,7 +21,6 @@ version.py
 
 # Temporary files
 *.pyc
-*condaenv.*
 .coverage
 .coverage.*
 .ipynb_checkpoints/
@@ -38,7 +37,6 @@ prof/
 .pixi/
 .tox/
 *venv/
-pixi.lock
 pyvenv*/
 
 # Settings
@@ -53,6 +51,5 @@ pyvenv*/
 !.readthedocs.yml
 !.vscode/*.json
 !codecov.yml
-!environment.yml
 !pyrightconfig.json
 .jupyter_ystore.db