Merge branch 'elstat-fix' into 302-add-support-for-generating-cube-fi…

…les-besides-orbitals

.github/workflows/build_docs.yml

@@ -1,95 +1,95 @@
-name: 'Documentation'
-
-# Sets permissions of the GITHUB_TOKEN to allow deployment to GitHub Pages
-permissions:
-  contents: write
-  pages: write
-  id-token: write
-
-# Allow only one concurrent deployment, skipping runs queued between the run in-progress and latest queued.
-# However, do NOT cancel in-progress runs as we want to allow these production deployments to complete.
-concurrency:
-  group: "pages"
-  cancel-in-progress: true
-
-on:
-  push:
-    branches:
-      - main
-  pull_request:
-    types: [closed]
-    branches: [main]
-  release:
-    types: [published]
-
-jobs:
-  build_and_deploy:
-    runs-on: ubuntu-latest
-
-    environment:
-      name: github-pages
-      url: ${{ steps.deployment.outputs.page_url }}
-
-    steps:
-      - name: Checkout
-        uses: actions/checkout@v3
-
-      - name: Get git tags
-        run: git fetch --prune --unshallow --tags
-
-      - name: Set up Python
-        uses: actions/setup-python@v4
-        with:
-          python-version: '3.11'
-
-      - name: Build package
-        run: |
-          python -m pip install --upgrade pip
-          if [ -f requirements.txt ]; then pip install -r requirements.txt; fi
-          pip install -e .
-
-      - name: Install sphinx
-        run: pip install sphinx sphinx-tabs sphinx-copybutton sphinx-autodoc-typehints sphinx-argparse
-
-      - name: Install sphinx theme
-        run: pip install pydata-sphinx-theme
-
-      - name: Install other dependencies
-        run: pip install plams
-
-
-      - name: Run sphinx-apidoc
-        run: cd docs; sphinx-apidoc -f -o ./api ../src/tcutility
-
-      - name: Run python scripts that create files used for the build docs
-        # script are in root/docs/utility_doc_scripts
-        run: |
-          for script in docs/utility_doc_scripts/*.py; do
-            python $script
-          done
-
-      - name: Build the docs
-        run: cd docs; make html
-
-      - name: Upload build to repo
-        uses: stefanzweifel/git-auto-commit-action@v4
-        with:
-            commit_message: Documentation build
-            file_pattern: 'docs/*'
-            add_options: '-f'
-            status_options: '-uall --ignored'
-            push_options: '--force'
-            branch: main
-
-      - name: Setup Pages
-        uses: actions/configure-pages@v3
-
-      - name: Upload artifact
-        uses: actions/upload-pages-artifact@v2
-        with:
-          # Upload entire repository
-          path: './docs/_build/html/'
-
-      - name: Deploy to GitHub Pages
-        id: deployment
-        uses: actions/deploy-pages@v2
+name: 'Documentation'
+
+# Sets permissions of the GITHUB_TOKEN to allow deployment to GitHub Pages
+permissions:
+  contents: write
+  pages: write
+  id-token: write
+
+# Allow only one concurrent deployment, skipping runs queued between the run in-progress and latest queued.
+# However, do NOT cancel in-progress runs as we want to allow these production deployments to complete.
+concurrency:
+  group: "pages"
+  cancel-in-progress: true
+
+on:
+  push:
+    branches:
+      - main
+  pull_request:
+    types: [closed]
+    branches: [main]
+  release:
+    types: [published]
+
+jobs:
+  build_and_deploy:
+    runs-on: ubuntu-latest
+
+    environment:
+      name: github-pages
+      url: ${{ steps.deployment.outputs.page_url }}
+
+    steps:
+      - name: Checkout
+        uses: actions/checkout@v3
+
+      - name: Get git tags
+        run: git fetch --prune --unshallow --tags
+
+      - name: Set up Python
+        uses: actions/setup-python@v4
+        with:
+          python-version: '3.11'
+
+      - name: Build package
+        run: |
+          python -m pip install --upgrade pip
+          if [ -f requirements.txt ]; then pip install -r requirements.txt; fi
+          pip install -e .
+
+      - name: Install sphinx
+        run: pip install sphinx sphinx-tabs sphinx-copybutton sphinx-autodoc-typehints sphinx-argparse
+
+      - name: Install sphinx theme
+        run: pip install pydata-sphinx-theme
+
+      - name: Install other dependencies
+        run: pip install plams
+
+
+      - name: Run sphinx-apidoc
+        run: cd docs; sphinx-apidoc -f -o ./api ../src/tcutility
+
+      - name: Run python scripts that create files used for the build docs
+        # script are in root/docs/utility_doc_scripts
+        run: |
+          for script in docs/utility_doc_scripts/*.py; do
+            python $script
+          done
+
+      - name: Build the docs
+        run: cd docs; make html
+
+      - name: Upload build to repo
+        uses: stefanzweifel/git-auto-commit-action@v4
+        with:
+            commit_message: Documentation build
+            file_pattern: 'docs/*'
+            add_options: '-f'
+            status_options: '-uall --ignored'
+            push_options: '--force'
+            branch: main
+
+      - name: Setup Pages
+        uses: actions/configure-pages@v3
+
+      - name: Upload artifact
+        uses: actions/upload-pages-artifact@v2
+        with:
+          # Upload entire repository
+          path: './docs/_build/html/'
+
+      - name: Deploy to GitHub Pages
+        id: deployment
+        uses: actions/deploy-pages@v2

.github/workflows/build_docs_no_deploy.yaml

@@ -1,46 +1,46 @@
-name: 'Documentation-no-Deploy'
-
-# Allow only one concurrent deployment, skipping runs queued between the run in-progress and latest queued.
-# However, do NOT cancel in-progress runs as we want to allow these production deployments to complete.
-concurrency:
-  group: "documentation"
-  cancel-in-progress: true
-
-on:
-  push:
-    branches-ignore:
-      - main
-
-jobs:
-  build_and_deploy:
-    runs-on: ubuntu-latest
-
-    steps:
-      - name: Checkout
-        uses: actions/checkout@v3
-
-      - name: Set up Python
-        uses: actions/setup-python@v4
-        with:
-          python-version: '3.11'
-
-      - name: Build package
-        run: |
-          python -m pip install --upgrade pip
-          if [ -f requirements.txt ]; then pip install -r requirements.txt; fi
-          pip install -e .
-
-      - name: Install sphinx
-        run: pip install sphinx sphinx-tabs sphinx-copybutton sphinx-autodoc-typehints sphinx-argparse
-
-      - name: Install sphinx theme
-        run: pip install pydata-sphinx-theme
-
-      - name: Install other dependencies
-        run: pip install plams
-
-      - name: Run sphinx-apidoc
-        run: cd docs; sphinx-apidoc -f -o . .. ../setup.py
-
-      - name: Build the docs
-        run: cd docs; make html
+name: 'Documentation-no-Deploy'
+
+# Allow only one concurrent deployment, skipping runs queued between the run in-progress and latest queued.
+# However, do NOT cancel in-progress runs as we want to allow these production deployments to complete.
+concurrency:
+  group: "documentation"
+  cancel-in-progress: true
+
+on:
+  push:
+    branches-ignore:
+      - main
+
+jobs:
+  build_and_deploy:
+    runs-on: ubuntu-latest
+
+    steps:
+      - name: Checkout
+        uses: actions/checkout@v3
+
+      - name: Set up Python
+        uses: actions/setup-python@v4
+        with:
+          python-version: '3.11'
+
+      - name: Build package
+        run: |
+          python -m pip install --upgrade pip
+          if [ -f requirements.txt ]; then pip install -r requirements.txt; fi
+          pip install -e .
+
+      - name: Install sphinx
+        run: pip install sphinx sphinx-tabs sphinx-copybutton sphinx-autodoc-typehints sphinx-argparse
+
+      - name: Install sphinx theme
+        run: pip install pydata-sphinx-theme
+
+      - name: Install other dependencies
+        run: pip install plams
+
+      - name: Run sphinx-apidoc
+        run: cd docs; sphinx-apidoc -f -o . .. ../setup.py
+
+      - name: Build the docs
+        run: cd docs; make html

.github/workflows/build_python_versions.yml

@@ -1,38 +1,38 @@
-name: Testing
-
-on: [push]
-
-concurrency:
-  group: "testing"
-  cancel-in-progress: true
-
-jobs:
-  build:
-
-    runs-on: ubuntu-latest
-    strategy:
-      matrix:
-        python-version: ["3.8", "3.9", "3.10", "3.11", "3.12"]
-
-    steps:
-      - uses: actions/checkout@v3
-      - name: Set up Python ${{ matrix.python-version }}
-        uses: actions/setup-python@v4
-        with:
-          python-version: ${{ matrix.python-version }}
-      - name: Install dependencies
-        run: |
-          python -m pip install --upgrade pip
-          pip install ruff==0.0.250 pytest pytest-cov
-          pip install -e .
-      - name: Lint with ruff
-        run: |
-          # stop the build if there are Python syntax errors or undefined names
-          # Note, line length is put on a very high margin (200). PEP8 prefers a value of 79
-          ruff --format=github --select=E9,F63,F7,F82 --target-version=py38 --line-length=250 .
-          # default set of ruff rules with GitHub Annotations
-          ruff --format=github --target-version=py38 --line-length=250 .
-      - name: Test with pytest
-        run: |
-          pytest --cov
-          coverage html
+name: Testing
+
+on: [push]
+
+concurrency:
+  group: "testing"
+  cancel-in-progress: true
+
+jobs:
+  build:
+
+    runs-on: ubuntu-latest
+    strategy:
+      matrix:
+        python-version: ["3.8", "3.9", "3.10", "3.11", "3.12"]
+
+    steps:
+      - uses: actions/checkout@v3
+      - name: Set up Python ${{ matrix.python-version }}
+        uses: actions/setup-python@v4
+        with:
+          python-version: ${{ matrix.python-version }}
+      - name: Install dependencies
+        run: |
+          python -m pip install --upgrade pip
+          pip install ruff==0.0.250 pytest pytest-cov
+          pip install -e .
+      - name: Lint with ruff
+        run: |
+          # stop the build if there are Python syntax errors or undefined names
+          # Note, line length is put on a very high margin (200). PEP8 prefers a value of 79
+          ruff --format=github --select=E9,F63,F7,F82 --target-version=py38 --line-length=250 .
+          # default set of ruff rules with GitHub Annotations
+          ruff --format=github --target-version=py38 --line-length=250 .
+      - name: Test with pytest
+        run: |
+          pytest --cov
+          coverage html