spglib · lan496 · Jan 25, 2024 · Nov 13, 2023 · Nov 13, 2023 · Nov 13, 2023
diff --git a/.github/workflows/ci.yaml b/.github/workflows/ci.yaml
@@ -1,4 +1,7 @@
 name: CI
+run-name: >
+  CI (${{ github.event_name }})
+  ${{ github.event_name == 'pull_request' && format('PR#{0}', github.event.number) || '' }}
 
 on:
   workflow_dispatch:
@@ -35,10 +38,24 @@ concurrency:
   cancel-in-progress: true
 
 jobs:
+  pre-commit:
+    name: pre-commit
+    uses: ./.github/workflows/step_pre-commit.yaml
+
   tests:
+    name: test
+    needs: [ pre-commit ]
     uses: ./.github/workflows/step_test.yaml
+    with:
+      mask-experimental: ${{ github.event_name == 'push' }}
+
+  coverage:
+    name: 👀 coverage
+    needs: [ tests ]
+    uses: ./.github/workflows/step_coverage.yaml
 
   build-wheel:
+    name: build-wheel
     uses: ./.github/workflows/step_build-wheel.yaml
     needs: [ tests ]
     with:
@@ -48,10 +65,13 @@ jobs:
       cibw_build: ${{ inputs.cibw_build || 'cp311-*' }}
 
   test-docs:
+    name: 📘 test-docs
+    needs: [ pre-commit ]
     uses: ./.github/workflows/step_test-docs.yaml
 
   pass:
-    needs: [tests, test-docs, build-wheel]
+    name: ✅ Pass
+    needs: [ pre-commit, tests, test-docs, build-wheel, coverage ]
     runs-on: ubuntu-latest
     steps:
       - name: Check all CI jobs

diff --git a/.github/workflows/release.yaml b/.github/workflows/release.yaml
@@ -1,5 +1,5 @@
-name: release
-run-name: Release
+name: 🚀 release
+run-name: Release ${{ github.ref_name }}
 
 on:
   push:
@@ -9,13 +9,15 @@ on:
 
 jobs:
   tests:
+    name: tests
     uses: ./.github/workflows/step_test.yaml
-  pypi-wheel:
+  build-wheel:
+    name: build-wheel
     needs: [ tests ]
     uses: ./.github/workflows/step_build-wheel.yaml
   upload_pypi:
     name: Upload to PyPI repository
-    needs: [ tests, pypi-wheel ]
+    needs: [ tests, build-wheel ]
     runs-on: ubuntu-latest
     environment:
       name: pypi

diff --git a/.github/workflows/step_build-wheel.yaml b/.github/workflows/step_build-wheel.yaml
@@ -1,9 +1,4 @@
-name: pypi-wheel
-run-name: Spglib PyPI Wheel builds for linux
-
-concurrency:
-  group: ${{ github.ref }}
-  cancel-in-progress: true
+name: build-wheel
 
 permissions:
   contents: read
@@ -34,7 +29,7 @@ on:
 
 jobs:
   build_wheels:
-    name: Build wheels on ${{ matrix.os }}
+    name: 🖥️ ${{ matrix.os }}
     runs-on: ${{ matrix.os }}
     strategy:
       fail-fast: false
@@ -64,7 +59,7 @@ jobs:
         if: ${{ inputs.upload }}
 
   build_sdist:
-    name: Build source distribution
+    name: 🐍 sdist
     runs-on: ubuntu-latest
     steps:
       - uses: actions/checkout@v4

diff --git a/.github/workflows/step_coverage.yaml b/.github/workflows/step_coverage.yaml
@@ -0,0 +1,70 @@
+name: 👀 coverage
+
+on:
+  workflow_call:
+
+permissions:
+  contents: read
+
+jobs:
+  ctest:
+    name: ${{ matrix.coverage }}
+    runs-on: ubuntu-latest
+    strategy:
+      matrix:
+        coverage: [ unit_tests, c_api, fortran_api ]
+    steps:
+      - uses: actions/checkout@v4
+        with:
+          fetch-depth: 0
+      - uses: lukka/get-cmake@latest
+      - name: Get test coverage for ${{ matrix.coverage }}
+        uses: lukka/run-cmake@v10.3
+        with:
+          workflowPreset: "ci-coverage-${{ matrix.coverage }}"
+      - name: Get lcov data
+        uses: danielealbano/lcov-action@v3
+        with:
+          # Note lcov-action prepends and appends wild-cards *. Account for those
+          # https://github.com/danielealbano/lcov-action/issues/11
+          remove_patterns: /test/,/cmake-build*/
+      - name: Upload coverage to Codecov
+        uses: codecov/codecov-action@v3
+        with:
+          name: ${{ matrix.coverage }} coverage
+          files: coverage.info
+          flags: ${{ matrix.coverage }}
+          verbose: true
+
+  pytest:
+    name: python_api
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@v4
+        with:
+          fetch-depth: 0
+      - uses: actions/setup-python@v4
+        with:
+          python-version: 3.x
+      - name: Setup spglib
+        run: |
+          python -m pip install --upgrade pip
+          pip install .[test-cov] \
+             --config-settings=cmake.define.CMAKE_C_COMPILER=gcc \
+             --config-settings=cmake.define.SPGLIB_TEST_COVERAGE=ON \
+             --config-settings=build-dir=build
+      - name: Test pytest with coverage
+        run: pytest --cov=spglib
+      - name: Get lcov data
+        uses: danielealbano/lcov-action@v3
+        with:
+          # Note lcov-action prepends and appends wild-cards *. Account for those
+          # https://github.com/danielealbano/lcov-action/issues/11
+          remove_patterns: /test/,/cmake-build*/,/tmp/
+      - name: Upload coverage to Codecov
+        uses: codecov/codecov-action@v3
+        with:
+          name: python_api coverage
+          files: coverage.info,.coverage
+          flags: python_api
+          verbose: true
diff --git a/.github/workflows/step_pre-commit.yaml b/.github/workflows/step_pre-commit.yaml
@@ -0,0 +1,20 @@
+name: pre-commit
+
+on:
+  workflow_call:
+
+permissions:
+  contents: read
+
+jobs:
+  pre-commit:
+    name: Check pre-commit
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@v4
+        with:
+          fetch-depth: 0
+      - uses: actions/setup-python@v4
+        with:
+          python-version: 3.x
+      - uses: pre-commit/action@v3.0.0
diff --git a/.github/workflows/step_test-docs.yaml b/.github/workflows/step_test-docs.yaml
@@ -1,5 +1,4 @@
-name: test-docs
-run-name: Run documentation tests
+name: 📘 test-docs
 
 on:
   workflow_call:

diff --git a/.github/workflows/step_test.yaml b/.github/workflows/step_test.yaml
@@ -1,54 +1,50 @@
 name: test
-run-name: Run tests
-
-concurrency:
-  group: ${{ github.ref }}
-  cancel-in-progress: true
 
 on:
   workflow_call:
+    inputs:
+      mask-experimental:
+        type: boolean
+        default: true
+        description: Always report experimental test as successful
 
 permissions:
   contents: read
 
 jobs:
-  pre-commit:
-    name: Check pre-commit
-    runs-on: ubuntu-latest
-    steps:
-      - uses: actions/checkout@v4
-        with:
-          fetch-depth: 0
-      - uses: actions/setup-python@v4
-        with:
-          python-version: 3.x
-      - uses: pre-commit/action@v3.0.0
 
   tests:
-    name: Check ${{ matrix.toolchain }} and Python ${{ matrix.python-version }}
+    name: >
+      🖥️ ${{ matrix.os || 'Fedora' }} +
+      ${{ !matrix.os && format('🛠️ {0} +', matrix.toolchain) || '' }}
+      🐍 ${{ matrix.python-version }}
+      ${{ matrix.experimental && '[🧪 Experimental]' || '' }}
     runs-on: ${{ matrix.os || 'ubuntu-latest' }}
     container: ${{ !matrix.os && 'ghcr.io/lecrisut/dev-env:main' || '' }}
-    needs: [ pre-commit ]
     continue-on-error: ${{ matrix.experimental || false }}
     strategy:
       fail-fast: false
       matrix:
-        toolchain: [ gcc, llvm, intel, windows, macos ]
-        python-version: [ "3.8", "3.9", "3.10", "3.11", "3.12"]
+        toolchain: [ gcc, llvm, intel ]
+        python-version: [ "3.8", "3.x" ]
         include:
-          - os: windows-2019
-            toolchain: windows
+#          - os: windows-2019
+#            toolchain: windows
+#            python-version: "3.x"
           - os: macos-11
             toolchain: macos
+            python-version: "3.x"
           - os: windows-latest
             toolchain: windows
+            python-version: "3.x"
             experimental: true
           - os: macos-latest
             toolchain: macos
+            python-version: "3.x"
             experimental: true
-          - python-version: "3.12"
-            experimental: true
-            pip-extra-flags: --pre
+#          - python-version: "3.13"
+#            experimental: true
+#            pre: true
     steps:
       - name: Enable msvc toolchain on windows
         uses: ilammy/msvc-dev-cmd@v1
@@ -70,94 +66,23 @@ jobs:
         run: git config --system --add safe.directory '*'
       - name: Patch /etc/lsb-release for experimental python
         # Mimic Ubuntu in order to be able to download experimental python
-        run : |
+        run: |
           echo -en 'DISTRIB_ID=Ubuntu\nDISTRIB_RELEASE=22.04\nDISTRIB_CODENAME=jammy\nDISTRIB_DESCRIPTION="Ubuntu 22.04.3 LTS"' >> /etc/lsb-release
-        if: ${{ !matrix.os && matrix.experimental }}
+        if: ${{ !matrix.os && matrix.pre }}
       - name: Setup python ${{ matrix.python-version }}
-        uses: actions/setup-python@v4
+        uses: actions/setup-python@v5
         with:
           python-version: ${{ matrix.python-version }}
-          allow-prereleases: true
+          allow-prereleases: ${{ matrix.pre || false }}
         # TODO: Replace with editable install once configure presets are available
       - name: Install python bindings
-        run: python3 -m pip install  ${{ matrix.pip-extra-flags }} .[test]
+        run: >
+          python3 -m pip install
+          ${{ matrix.pre && '--pre' }}
+          .[test]
       - uses: lukka/get-cmake@latest
       - name: Run CMake configuration for ${{ matrix.toolchain }} toolchain
         uses: lukka/run-cmake@v10.3
         with:
           workflowPreset: "${{ matrix.toolchain }}-ci"
-
-  coverage:
-    name: Check ${{ matrix.coverage_api }} API test coverage
-    runs-on: ubuntu-latest
-    needs: [ tests ]
-    strategy:
-      matrix:
-        coverage: [ unit_tests, c_api, fortran_api ]
-    steps:
-      - uses: actions/checkout@v4
-        with:
-          fetch-depth: 0
-      - uses: lukka/get-cmake@latest
-      - name: Get test coverage for ${{ matrix.coverage }}
-        uses: lukka/run-cmake@v10.3
-        with:
-          workflowPreset: "ci-coverage-${{ matrix.coverage }}"
-      - name: Get lcov data
-        uses: danielealbano/lcov-action@v3
-        with:
-          # Note lcov-action prepends and appends wild-cards *. Account for those
-          # https://github.com/danielealbano/lcov-action/issues/11
-          remove_patterns: /test/,/cmake-build*/
-      - name: Upload coverage to Codecov
-        uses: codecov/codecov-action@v3
-        with:
-          name: ${{ matrix.coverage }} coverage
-          files: coverage.info
-          flags: ${{ matrix.coverage }}
-          verbose: true
-
-  coverage-pytest:
-    name: Run python tests with coverage
-    runs-on: ubuntu-latest
-    needs: [ tests ]
-    steps:
-      - uses: actions/checkout@v4
-        with:
-          fetch-depth: 0
-      - name: Set up Python
-        uses: actions/setup-python@v4
-        with:
-          python-version: 3.x
-          cache: pip
-      - name: Setup spglib
-        run: |
-          python -m pip install --upgrade pip
-          pip install .[test-cov] \
-             --config-settings=cmake.define.CMAKE_C_COMPILER=gcc \
-             --config-settings=cmake.define.SPGLIB_TEST_COVERAGE=ON \
-             --config-settings=build-dir=build
-      - name: Test pytest with coverage
-        run: pytest --cov=spglib
-      - name: Get lcov data
-        uses: danielealbano/lcov-action@v3
-        with:
-          # Note lcov-action prepends and appends wild-cards *. Account for those
-          # https://github.com/danielealbano/lcov-action/issues/11
-          remove_patterns: /test/,/cmake-build*/,/tmp/
-      - name: Upload coverage to Codecov
-        uses: codecov/codecov-action@v3
-        with:
-          name: python api coverage
-          files: coverage.info,.coverage
-          flags: python_api
-          verbose: true
-  pass:
-    needs: [pre-commit, tests, coverage, coverage-pytest]
-    runs-on: ubuntu-latest
-    steps:
-      - name: Check test jobs
-        uses: re-actors/alls-green@release/v1
-        with:
-          jobs: ${{ toJSON(needs) }}
-    if: always()
+        continue-on-error: ${{ matrix.experimental && inputs.mask-experimental}}