update actions

.github/workflows/check-enums.yml

@@ -0,0 +1,55 @@
+name: check-enums
+
+on:
+  workflow_dispatch:
+  push:
+    branches: [main]
+  pull_request:
+    branches: [main]
+
+permissions:
+  contents: write
+
+jobs:
+  check-enums:
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@v4
+        with:
+          ref: ${{ github.event.pull_request.head.ref }}
+          fetch-depth: 0
+
+      - name: Set up Python
+        uses: actions/setup-python@v5
+        with:
+          python-version: "3.10"
+          cache: pip
+
+      - name: Install dependencies
+        run: |
+          pip install --upgrade pip pip-tools black ruamel.yaml
+          pip install --user --no-deps -e ./emmet-core
+
+      - name: Generate enums and check output
+        id: enums
+        shell: bash -l {0}
+        run: |
+          set -e
+          python emmet-core/dev_scripts/generate_enums.py
+          black emmet-core/emmet/core/*/calc_types/enums.py
+          echo "count=$(git diff --exit-code --quiet HEAD emmet-core/emmet/core/*/calc_types/enums.py || echo "1")" >> $GITHUB_OUTPUT
+          echo "files=$(git ls-files --exclude-standard --others emmet-core/emmet/core/*/calc_types/enums.py | wc -l | xargs)" >> $GITHUB_OUTPUT
+
+      - name: Commit & push enums changes
+        shell: bash -l {0}
+        run: |
+          set -e
+          if [[ "${{ steps.enums.outputs.count }}" > 0 || "${{ steps.enums.outputs.files }}" > 0 ]]; then
+            git config user.name github-actions
+            git config user.email [email protected]
+            git add emmet-core/emmet/core/*/calc_types/enums.py
+            git commit --allow-empty -m "[automated commit] update calc type enums"
+            git push
+          else
+            echo "No changes detected in enum files."
+          fi

.github/workflows/lint.yml

@@ -1,17 +1,18 @@
 name: Linting
 
 on:
-  push:
-    branches: [main]
-  pull_request:
-    branches: [main]
+  workflow_dispatch:
+  workflow_run:
+    workflows: ["check-enums"]
+    types: [completed]
 
 permissions:
   contents: read
 
 jobs:
   lint:
     runs-on: ubuntu-latest
+    if: ${{ github.event.workflow_run.conclusion == 'success' || github.event_name == 'workflow_dispatch' }}
     steps:
       - uses: actions/checkout@v4
 

.github/workflows/testing.yml

@@ -1,20 +1,16 @@
 name: testing
 
 on:
-  workflow_dispatch: # Allow running on-demand
-
-  push:
-    branches:
-      - main
-
-  pull_request:
-    branches:
-      - main
+  workflow_dispatch:
+  workflow_run:
+    workflows: ["check-enums"]
+    types: [completed]
 
 jobs:
   test:
     name: ${{ matrix.package }} (${{ matrix.os }}/py${{ matrix.python-version }})
     runs-on: ${{ matrix.os }}
+    if: ${{ github.event.workflow_run.conclusion == 'success' || github.event_name == 'workflow_dispatch' }}
     strategy:
       matrix:
         os: ["ubuntu-latest"] # TODO openbabel for windows and mac
@@ -39,30 +35,12 @@ jobs:
       - name: Install Python dependencies
         shell: bash -l {0}
         run: |
-          python${{ matrix.python-version }} -m pip install --upgrade pip pip-tools pre-commit
+          python${{ matrix.python-version }} -m pip install --upgrade pip pip-tools
           python${{ matrix.python-version }} -m pip install --user `grep numpy ${{ matrix.package }}/requirements/${{ matrix.os }}_py${{ matrix.python-version }}_extras.txt`
           python${{ matrix.python-version }} -m pip install --user -r ${{ matrix.package }}/requirements/${{ matrix.os }}_py${{ matrix.python-version }}_extras.txt
-
-      - name: generate Enums
-        id: enums
-        shell: bash -l {0}
-        if: matrix.package == 'emmet-core'
-        run: |
-          python${{ matrix.python-version }} emmet-core/emmet/core/qchem/calc_types/generate.py
-          python${{ matrix.python-version }} emmet-core/emmet/core/vasp/calc_types/generate.py
-          pre-commit run --all-files --show-diff-on-failure
-          echo "count=$(git diff-index HEAD emmet-core/emmet/core/*/calc_types/enums.py | wc -l | xargs)" >> $GITHUB_OUTPUT
-          echo "files=$(git ls-files --exclude-standard --others emmet-core/emmet/core/*/calc_types/enums.py | wc -l | xargs)" >> $GITHUB_OUTPUT
-
-      - name: commit & push enums changes
-        if: matrix.package == 'emmet-core' && (steps.enums.outputs.count > 0 || steps.enums.outputs.files > 0)
-        shell: bash -l {0}
-        run: |
-          git config user.name github-actions
-          git config user.email [email protected]
-          git add emmet-core/emmet/core/*/calc_types/enums.py
-          git commit --allow-empty -m "update calc type enums"
-          git push origin ${{ github.ref_name }}
+        env:
+          CC: gcc-10
+          CXX: g++-10
 
       - name: Install editable emmet-core if needed
         shell: bash -l {0}