easydiffraction 0.19.0__tar.gz → 0.20.0__tar.gz

easydiffraction-0.20.0/.copier-answers.yml

@@ -0,0 +1,26 @@
+# WARNING: Do not edit this file manually.
+# Any changes will be overwritten by Copier.
+_commit: v0.13.1-4-g190905c
+_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: '3.14'
+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: '3.12'
+lib_repo_name: diffraction-lib
+project_contact_email: support@easydiffraction.org
+project_copyright_years: 2021-2026
+project_extended_description: A software for calculating diffraction patterns based
+    on a structural model and refining its parameters against experimental data
+project_name: EasyDiffraction
+project_short_description: Diffraction data analysis
+project_shortcut: ED
+project_type: both
+template_type: lib

easydiffraction-0.20.0/.github/workflows/docs.yml

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+# This workflow builds and deploys documentation for the project.
+#
+# Overview:
+#  - Converts tutorial Python scripts to Jupyter notebooks and executes them.
+#  - Builds the documentation site using MkDocs with the Material theme.
+#  - Uploads the built site as an artifact for local inspection.
+#  - Deploys versioned documentation to the gh-pages branch using Mike:
+#    - For release tags (v*): deploys to a versioned folder (e.g., /0.9.1/) and updates /latest/.
+#    - For branches: deploys to /dev/.
+#
+# The action summary page will contain a link to the built artifact for downloading
+# and inspecting, as well as a link to the deployed documentation site.
+
+name: Docs build and deployment
+
+on:
+  # Trigger the workflow on push
+  push:
+    # Selected branches
+    branches: [develop] # master and main are already verified in PR
+    # Runs on creating a new tag starting with 'v', e.g. 'v1.0.3'
+    tags: ['v*']
+  # Trigger the workflow on pull request
+  pull_request:
+    # Selected branches
+    branches: [master, main, develop]
+  # Allows you to run this workflow manually from the Actions tab
+  workflow_dispatch:
+
+# - Non-tagged pushes and pull requests all use `docs-dev` group, so
+#   they cancel each other.
+# - Tagged pushes use their own group like docs-v1.2.3, so they do not
+#   cancel non-tagged runs, and non-tagged runs do not cancel them.
+concurrency:
+  group: >-
+    ${{ startsWith(github.ref, 'refs/tags/v')
+      && format('docs-{0}', github.ref_name)
+      || 'docs-dev' }}
+  cancel-in-progress: true
+
+# Set the environment variables to be used in all jobs defined in this workflow
+env:
+  # CI_BRANCH - the branch name (used in mkdocs.yml)
+  # For PRs: github.head_ref is the source branch
+  # For pushes: github.ref_name is the branch
+  # For tags: github.ref_name is the tag name
+  # GITHUB_REPOSITORY - the repository name (used in mkdocs.yml)
+  # NOTEBOOKS_DIR - the directory containing the Jupyter notebooks (used in mkdocs.yml)
+  DEFAULT_BRANCH: ${{ github.event.repository.default_branch }}
+  DEVELOP_BRANCH: develop
+  CI_BRANCH: ${{ github.head_ref || github.ref_name }}
+  IS_RELEASE_TAG: ${{ startsWith(github.ref, 'refs/tags/v') }}
+  GITHUB_REPOSITORY: ${{ github.repository }}
+  NOTEBOOKS_DIR: tutorials
+
+jobs:
+  # Single job that builds and deploys documentation.
+  # Uses macOS runner for consistent Plotly chart rendering.
+  build-deploy-docs:
+    runs-on: ubuntu-latest # macos-latest
+
+    permissions:
+      contents: write # Required for pushing to the gh-pages branch
+
+    steps:
+      # Setting DOCS_VERSION to be used in mkdocs.yml, and then in the
+      # main.html template. It defines the versioned docs subfolder name
+      # in the gh-pages branch. If it's a release tag, use the version
+      # number without the 'v' prefix, otherwise use 'dev'.
+      # Setting RELEASE_VERSION to be used in mkdocs.yml to show
+      # the latest release version in the index.md file. If it's a
+      # release tag, use the tag name, otherwise use the branch name
+      # for development builds.
+      - name: Set extra env variables
+        shell: bash
+        run: |
+          if [[ "${IS_RELEASE_TAG}" == "true" ]]; then
+            RELEASE_VERSION="${GITHUB_REF_NAME}"
+            DOCS_VERSION="${RELEASE_VERSION#v}"
+          else
+            RELEASE_VERSION="${CI_BRANCH}"
+            DOCS_VERSION="dev"
+          fi
+          echo "RELEASE_VERSION=${RELEASE_VERSION}" >> "$GITHUB_ENV"
+          echo "DOCS_VERSION=${DOCS_VERSION}" >> "$GITHUB_ENV"
+
+      # Check out the repository source code.
+      # Note: The gh-pages branch is fetched separately later for mike deployment.
+      - name: Checkout repository
+        uses: actions/checkout@v6
+        with:
+          # Full history with tags so versioningit derives the real
+          # version (e.g. 0.18.0+dev40) instead of the v999.0.0 fallback
+          # (tool.versioningit.vcs default-tag), which would otherwise
+          # appear as "edi 999" in the executed notebook outputs rendered
+          # to HTML.
+          fetch-depth: 0
+
+      # Activate dark mode to create documentation with Plotly charts in dark mode
+      # Need a better solution to automatically switch the chart colour theme based on the mkdocs material switcher
+      # Something similar to mkdocs_plotly_plugin https://haoda-li.github.io/mkdocs-plotly-plugin/,
+      # but for generating documentation from notepads
+      #- name: Activate dark mode
+      #  run: |
+      #    brew install dark-mode
+      #    dark-mode status
+      #    dark-mode on
+      #    dark-mode status
+
+      # Set up the pixi package manager and install dependencies from pixi.toml.
+      # Uses frozen lockfile to ensure reproducible builds.
+      - name: Set up pixi
+        uses: ./.github/actions/setup-pixi
+      # Pre-import the main package to exclude info messages from the docs
+      # E.g., Matplotlib may print messages to stdout/stderr when first
+      # imported. This step allows to avoid "Matplotlib is building the font
+      # cache" messages during notebook execution.
+      - name: Pre-build site step
+        run: pixi run python -c "import easydiffraction"
+
+      # Prepare the Jupyter notebooks for documentation (strip output, etc.).
+      - name: Prepare notebooks
+        run: pixi run notebook-prepare
+
+      # Execute all Jupyter notebooks to generate output cells (plots, tables, etc.).
+      # Uses multiple cores for parallel execution to speed up the process.
+      - name: Run notebooks
+        # if: false # Temporarily disabled to speed up the docs build
+        run: pixi run notebook-exec-ci
+
+      # Sync the canonical Three.js snapshot into the docs assets so
+      # MkDocs can serve it (belt-and-braces; docs-build also depends on
+      # this task).
+      - name: Sync vendored JS into docs assets
+        run: pixi run docs-sync-vendored-js
+
+      # Build the static files for the documentation site for local inspection
+      # Input: docs/ directory containing the Markdown files
+      # Output: docs/site/ directory containing the generated HTML files
+      # Also verifies that mkdocstrings generated docs/site/objects.inv.
+      - name: Build site for local check
+        run: |
+          pixi run docs-build-local
+          pixi run docs-inventory-check
+
+      # Upload the static files from the docs/site/ directory to be used for
+      # local check
+      - name: Upload built site as artifact
+        uses: ./.github/actions/upload-artifact
+        with:
+          name: site-local_easydiffraction-lib-${{ env.RELEASE_VERSION }}
+          path: docs/site/
+
+      # Create GitHub App token for pushing to gh-pages as easyscience[bot].
+      - name: Setup easyscience[bot]
+        id: bot
+        uses: ./.github/actions/setup-easyscience-bot
+        with:
+          app-id: ${{ vars.EASYSCIENCE_APP_ID }}
+          private-key: ${{ secrets.EASYSCIENCE_APP_KEY }}
+
+      # Configure git identity and remote URL so mike pushes as easyscience[bot].
+      - name: Configure git for pushing
+        run: |
+          set -euo pipefail
+          git config user.name "easyscience[bot]"
+          git config user.email "${{ vars.EASYSCIENCE_APP_ID }}+easyscience[bot]@users.noreply.github.com"
+          git remote set-url origin "https://x-access-token:${{ steps.bot.outputs.token }}@github.com/${{ github.repository }}.git"
+
+      # Fetch the gh-pages branch to ensure mike has the latest remote state.
+      # This is required because the checkout step only fetches the source branch,
+      # not the gh-pages branch that mike needs to update.
+      - name: Fetch gh-pages branch
+        run: |
+          git fetch origin gh-pages:gh-pages 2>/dev/null || true
+
+      # Deploy versioned documentation using mike (MkDocs plugin for versioning).
+      # - For release tags (v*): deploys to versioned folder (e.g., /0.9.1/) and aliases to /latest/.
+      # - For branches: deploys to /dev/.
+      # The "${RELEASE_VERSION#v}" syntax strips the 'v' prefix (v0.9.1 -> 0.9.1).
+      # Also sets 'latest' as the default version for the version selector.
+      - name: Rebuild and deploy docs with mike
+        run: |
+          # Exit on error (-e), undefined vars (-u), and pipeline failures (pipefail)
+          set -euo pipefail
+
+          REPO_NAME="${{ github.event.repository.name }}"
+          BASE_URL="https://easyscience.github.io/${REPO_NAME}"
+
+          # Deploy the release version and update the "latest" alias
+          if [[ "${IS_RELEASE_TAG}" == "true" ]]; then
+            pixi run docs-deploy-pre "${RELEASE_VERSION#v}" latest
+            pixi run docs-set-default-pre latest
+            DEPLOYMENT_URL="${BASE_URL}/latest"
+
+          # Deploy/update the "dev" alias (or whatever your convention is)
+          else
+            pixi run docs-deploy-pre dev
+            DEPLOYMENT_URL="${BASE_URL}/dev"
+
+          fi
+
+          # Add links to the action summary page for easy access
+          echo "🔗 deployment url [${DEPLOYMENT_URL}](${DEPLOYMENT_URL})" >> "${GITHUB_STEP_SUMMARY}"

easydiffraction-0.20.0/.github/workflows/pypi-test.yml

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+name: PyPI package tests
+
+on:
+  # Run daily, at 00:00.
+  schedule:
+    - cron: '0 0 * * *'
+  # Allows you to run this workflow manually from the Actions tab
+  workflow_dispatch:
+
+# Allow only one concurrent workflow, skipping runs queued between the run
+# in-progress and latest queued. And cancel in-progress runs.
+concurrency:
+  group: ${{ github.workflow }}-${{ github.ref }}
+  cancel-in-progress: true
+
+permissions:
+  contents: read
+
+jobs:
+  # Job 1: Test installation from PyPI on multiple OS
+  pypi-package-tests:
+    strategy:
+      matrix:
+        os: [ubuntu-latest, windows-latest, macos-latest]
+
+    runs-on: ${{ matrix.os }}
+
+    steps:
+      - name: Checkout repository
+        uses: actions/checkout@v6
+
+      - name: Set up pixi
+        uses: ./.github/actions/setup-pixi
+        with:
+          environments: ''
+          activate-environment: ''
+          run-install: false
+          frozen: false
+
+      - name: Init pixi project
+        run:
+          pixi init --platform linux-64 --platform osx-arm64 --platform win-64
+          easydiffraction
+
+      - name: Configure pixi platforms
+        working-directory: easydiffraction
+        run: |
+          pixi workspace platform edit linux-64 --glibc 2.35 --no-install
+          pixi workspace platform edit osx-arm64 --macos 14.0 --no-install
+
+      - name: Add Python 3.14
+        working-directory: easydiffraction
+        run: pixi add "python=3.14"
+
+      # GNU Scientific Library (required by diffpy.pdffit2)
+      # libc++ for macOS (required by diffpy.pdffit2)
+      - name: Add other Conda dependencies
+        working-directory: easydiffraction
+        run: |
+          pixi add gsl
+          pixi add --platform osx-arm64 libcxx
+
+      - name: Add easydiffraction (with dev dependencies) from PyPI
+        working-directory: easydiffraction
+        run: pixi add --pypi "easydiffraction[dev]"
+
+      - name: Run unit tests to verify the installation
+        working-directory: easydiffraction
+        run: pixi run python -m pytest ../tests/unit/ --color=yes -v
+
+      - name: Run functional tests to verify the installation
+        if: ${{ !cancelled() }}
+        working-directory: easydiffraction
+        run: pixi run python -m pytest ../tests/functional/ --color=yes -v
+
+      - name: Run integration tests to verify the installation
+        if: ${{ !cancelled() }}
+        working-directory: easydiffraction
+        run: pixi run python -m pytest ../tests/integration/ --color=yes -n auto
+
+  # Job 2: Build and publish dashboard (reusable workflow)
+  run-reusable-workflows:
+    needs: pypi-package-tests # depend on previous job
+    uses: ./.github/workflows/dashboard.yml
+    secrets: inherit

easydiffraction-0.20.0/.github/workflows/test.yml

@@ -0,0 +1,334 @@
+# This is the main workflow for testing the code before and after
+# packaging it.
+# The workflow is divided into three jobs:
+# 1. env-prepare:
+#    - Prepare the environment for testing
+# 2. source-test:
+#    - Test the code base against the latest code in the repository
+#    - Create the Python package
+#    - Upload the Python package for the next job
+# 3. package-test:
+#    - Download the Python package (including extra files) from the previous job
+#    - Install the downloaded Python package
+#    - Test the code base against the installed package
+# 4. dashboard-build-trigger:
+#    - Trigger the dashboard build workflow to update the code quality
+#      metrics on the dashboard
+
+name: Code and package tests
+
+on:
+  # Trigger the workflow on push
+  push:
+    branches-ignore: [master, main] # Already verified in PR
+    # But do not run this workflow on creating a new tag starting with
+    # 'v', e.g. 'v1.0.3' (see publish-pypi.yml)
+    tags-ignore: ['v*']
+  # Trigger the workflow on pull request
+  pull_request:
+    branches: ['**']
+  # Allows you to run this workflow manually from the Actions tab
+  workflow_dispatch:
+
+# Need permissions to trigger the dashboard build workflow
+permissions:
+  actions: write
+  contents: read
+
+# Allow only one concurrent workflow, skipping runs queued between the run
+# in-progress and latest queued. And cancel in-progress runs.
+concurrency:
+  group: ${{ github.workflow }}-${{ github.event.pull_request.number || github.ref }}
+  cancel-in-progress: true
+
+# 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: '3.12 3.14'
+  PIXI_ENVS: 'py-312-env py-314-env'
+
+jobs:
+  # Job 1: Set up environment variables
+  env-prepare:
+    runs-on: [ubuntu-latest]
+
+    outputs:
+      pytest-marks: ${{ steps.set-mark.outputs.pytest_marks }}
+      run-pr-tier: ${{ steps.set-mark.outputs.run_pr_tier }}
+
+    steps:
+      # Select the test cost tier by branch (see ADR test-suite-and-validation):
+      # the pr tier runs on develop/master and pull requests; feature-branch
+      # pushes run only the default (fast) tier. The nightly tier runs
+      # separately in nightly-test.yml.
+      - name: Set test tier marker expression
+        id: set-mark
+        run: |
+          # Pull requests and develop/master pushes run the pr tier;
+          # feature-branch pushes run only the default (fast) tier. On a
+          # pull_request event CI_BRANCH is the contributor branch, so the
+          # event type must be checked explicitly. run_pr_tier gates the
+          # integration steps: the integration layer is entirely pr-marked,
+          # so on the fast tier its selection is empty and pytest would exit
+          # 5 ("no tests collected"); skip the step in that case instead.
+          if [[ "${{ github.event_name }}" == "pull_request" || "${{ env.CI_BRANCH }}" == "master" || "${{ env.CI_BRANCH }}" == "develop" ]]; then
+            echo 'pytest_marks=-m "not nightly"' >> "$GITHUB_OUTPUT"
+            echo 'run_pr_tier=true' >> "$GITHUB_OUTPUT"
+          else
+            echo 'pytest_marks=-m "not pr and not nightly"' >> "$GITHUB_OUTPUT"
+            echo 'run_pr_tier=false' >> "$GITHUB_OUTPUT"
+          fi
+
+  # Job 2: Test code
+  source-test:
+    needs: env-prepare # depend on previous job
+
+    strategy:
+      fail-fast: false
+      matrix:
+        os: [ubuntu-24.04, macos-15, windows-2022]
+
+    runs-on: ${{ matrix.os }}
+
+    steps:
+      - name: Checkout repository
+        uses: actions/checkout@v6
+
+      - name: Set up pixi
+        uses: ./.github/actions/setup-pixi
+        with:
+          environments: ${{ env.PIXI_ENVS }}
+
+      - name: Run unit tests
+        shell: bash
+        run: |
+          set -euo pipefail
+
+          for py_ver in $PY_VERSIONS; do
+            echo
+            echo "🔹🔸🔹🔸🔹 Python: $py_ver 🔹🔸🔹🔸🔹"
+
+            env="py-$(echo $py_ver | tr -d .)-env" # Converts 3.XX -> py-3XX-env
+
+            echo "Running tests in environment: $env"
+            pixi run --environment $env unit-tests ${{ needs.env-prepare.outputs.pytest-marks }}
+          done
+
+      - name: Run functional tests
+        shell: bash
+        run: |
+          set -euo pipefail
+
+          for py_ver in $PY_VERSIONS; do
+            echo
+            echo "🔹🔸🔹🔸🔹 Python: $py_ver 🔹🔸🔹🔸🔹"
+
+            env="py-$(echo $py_ver | tr -d .)-env" # Converts 3.XX -> py-3XX-env
+
+            echo "Running tests in environment: $env"
+            pixi run --environment $env functional-tests ${{ needs.env-prepare.outputs.pytest-marks }}
+          done
+
+      # Integration tests are entirely pr-marked, so they only run in the pr
+      # tier (PRs + develop/master). On feature-branch pushes the selection
+      # would be empty; skip the step rather than fail on pytest exit code 5.
+      - name: Run integration tests ${{ needs.env-prepare.outputs.pytest-marks }}
+        if: needs.env-prepare.outputs.run-pr-tier == 'true'
+        shell: bash
+        run: |
+          set -euo pipefail
+
+          for py_ver in $PY_VERSIONS; do
+            echo
+            echo "🔹🔸🔹🔸🔹 Python: $py_ver 🔹🔸🔹🔸🔹"
+
+            env="py-$(echo $py_ver | tr -d .)-env" # Converts 3.XX -> py-3XX-env
+
+            echo "Running tests in environment: $env"
+            pixi run --environment $env integration-tests ${{ needs.env-prepare.outputs.pytest-marks }}
+          done
+
+      # Delete all local tags when not on a tagged commit to force versioningit
+      # to fall back to the configured default-tag, which is '999.0.0' in our case.
+      # This is needed for testing the package in the next job, as its version
+      # must be higher than the PyPI version for pip to prefer the local version.
+      - name: Force using versioningit default tag (non tagged release)
+        if: startsWith(github.ref , 'refs/tags/v') != true
+        run: git tag --delete $(git tag)
+
+      - name: Build package wheels for all Python versions
+        shell: bash
+        run: |
+          set -euo pipefail
+
+          for py_ver in $PY_VERSIONS; do
+            echo
+            echo "🔹🔸🔹🔸🔹 Python: $py_ver 🔹🔸🔹🔸🔹"
+
+            env="py-$(echo $py_ver | tr -d .)-env" # Converts 3.11 -> py-311-env
+
+            echo "Building wheel in environment: $env"
+            pixi run --environment $env dist-build
+
+            echo "Moving built wheel to dist/py$py_ver/"
+            pixi run mkdir -p dist/py$py_ver
+            pixi run mv dist/*.whl dist/py$py_ver/
+          done
+
+      - name: Remove Python cache files before uploading
+        shell: bash
+        run: pixi run clean-pycache
+
+      # More than one file/dir need to be specified in 'path', to preserve the
+      # structure of the dist/ directory, not only its contents.
+      - name: Upload package (incl. extras) for next job
+        uses: ./.github/actions/upload-artifact
+        with:
+          name: easydiffraction_${{ matrix.os }}_${{ runner.arch }}
+          path: dist/
+
+  # Job 3: Test the package
+  package-test:
+    # env-prepare provides the tier marker expression; source-test the wheel
+    needs: [env-prepare, source-test]
+
+    strategy:
+      fail-fast: false
+      matrix:
+        os: [ubuntu-24.04, macos-15, windows-2022]
+
+    runs-on: ${{ matrix.os }}
+
+    steps:
+      - name: Checkout repository
+        uses: actions/checkout@v6
+
+      - name: Download package (incl. extras) from previous job
+        uses: ./.github/actions/download-artifact
+        with:
+          # name and path should be taken from the upload step of the previous job
+          name: easydiffraction_${{ matrix.os }}_${{ runner.arch }}
+          path: dist/
+
+      - name: Set up pixi
+        uses: ./.github/actions/setup-pixi
+        with:
+          environments: ''
+          activate-environment: ''
+          run-install: false
+          frozen: false
+
+      - name: Install easydiffraction from the built wheel
+        shell: bash
+        run: |
+          set -euo pipefail
+
+          for py_ver in $PY_VERSIONS; do
+            echo
+            echo "🔹🔸🔹🔸🔹 Python: $py_ver 🔹🔸🔹🔸🔹"
+
+            echo "Initializing pixi project"
+            pixi init --platform linux-64 --platform osx-arm64 --platform win-64 easydiffraction_py$py_ver
+            cd easydiffraction_py$py_ver
+
+            echo "Configure Pixi platforms"
+            pixi workspace platform edit linux-64 --glibc 2.35 --no-install
+            pixi workspace platform edit osx-arm64 --macos 14.0 --no-install
+
+            echo "Add Python $py_ver"
+            pixi add "python=$py_ver"
+
+            # Add other Conda dependencies
+            
+            echo "Add GNU Scientific Library (required by diffpy.pdffit2)"
+            pixi add gsl
+
+            # diffpy.pdffit2 wheel links @rpath/libc++.1.dylib, which must be
+            # present in the conda env lib/ dir on macOS (Python propagates its
+            # own @loader_path/../lib/ rpath to loaded extensions). Added as
+            # platform-specific deps so this is a no-op on Linux/Windows.
+            echo "Adding libc++ for macOS (required by diffpy.pdffit2)"
+            pixi add --platform osx-arm64 libcxx
+
+            echo "Looking for wheel in ../dist/py$py_ver/"
+            ls -l "../dist/py$py_ver/"
+
+            whl_path=(../dist/"py$py_ver"/*.whl)
+            if [[ ! -f "${whl_path[0]}" ]]; then
+              echo "❌ No wheel found in ../dist/py$py_ver/"
+              exit 1
+            fi
+
+            whl_abs_path="$(python -c 'import os,sys; print(os.path.abspath(sys.argv[1]))' "${whl_path[0]}")"
+
+            echo "Add easydiffraction from: $whl_abs_path"
+            pixi add --pypi "easydiffraction[dev] @ ${whl_abs_path}"
+
+            echo "Exiting pixi project directory"
+            cd ..
+          done
+
+      - name: Run unit tests
+        shell: bash
+        run: |
+          set -euo pipefail
+
+          for py_ver in $PY_VERSIONS; do
+            echo
+            echo "🔹🔸🔹🔸🔹 Python: $py_ver 🔹🔸🔹🔸🔹"
+
+            echo "Entering pixi project directory easydiffraction_py$py_ver"
+            cd easydiffraction_py$py_ver
+
+            echo "Running tests"
+            pixi run python -m pytest ../tests/unit/ --color=yes -v ${{ needs.env-prepare.outputs.pytest-marks }}
+
+            echo "Exiting pixi project directory"
+            cd ..
+          done
+
+      - name: Run functional tests
+        shell: bash
+        run: |
+          set -euo pipefail
+
+          for py_ver in $PY_VERSIONS; do
+            echo
+            echo "🔹🔸🔹🔸🔹 Python: $py_ver 🔹🔸🔹🔸🔹"
+
+            echo "Entering pixi project directory easydiffraction_py$py_ver"
+            cd easydiffraction_py$py_ver
+
+            echo "Running tests"
+            pixi run python -m pytest ../tests/functional/ --color=yes -v ${{ needs.env-prepare.outputs.pytest-marks }}
+
+            echo "Exiting pixi project directory"
+            cd ..
+          done
+
+      # See the source-test job: integration tests run only in the pr tier.
+      - name: Run integration tests ${{ needs.env-prepare.outputs.pytest-marks }}
+        if: needs.env-prepare.outputs.run-pr-tier == 'true'
+        shell: bash
+        run: |
+          set -euo pipefail
+
+          for py_ver in $PY_VERSIONS; do
+            echo
+            echo "🔹🔸🔹🔸🔹 Python: $py_ver 🔹🔸🔹🔸🔹"
+
+            echo "Entering pixi project directory easydiffraction_py$py_ver"
+            cd easydiffraction_py$py_ver
+
+            echo "Running tests"
+            pixi run python -m pytest ../tests/integration/ --color=yes -n auto -v ${{ needs.env-prepare.outputs.pytest-marks }}
+
+            echo "Exiting pixi project directory"
+            cd ..
+          done
+
+  # Job 4: Build and publish dashboard (reusable workflow)
+  run-reusable-workflows:
+    needs: package-test # depend on previous job
+    uses: ./.github/workflows/dashboard.yml
+    secrets: inherit

easydiffraction-0.20.0/.prettierignore

@@ -0,0 +1,46 @@
+# Git
+.git/
+
+# Copier
+.copier-answers*.yml
+
+# Pixi
+.pixi
+pixi.lock
+
+# MkDocs
+docs/overrides/
+docs/site/
+docs/docs/assets/
+
+# Python
+.pytest_cache/
+
+# MyPy
+.mypy_cache/
+
+# Ruff
+.ruff_cache/
+
+# Node
+node_modules
+
+# Vendored snapshots
+src/easydiffraction/display/structure/renderers/vendor/
+src/easydiffraction/display/plotters/vendor/
+src/easydiffraction/report/templates/html/vendor/
+src/easydiffraction/report/templates/tex/styles/
+src/easydiffraction/utils/_vendored/jupyter_dark_detect/
+
+# Figure loader served verbatim (same as its docs/docs/assets/ origin)
+src/easydiffraction/display/plotters/assets/
+
+# Tox
+.tox
+
+# Misc
+.benchmarks
+.cache
+deps/
+tmp/
+.hypothesis/