🧪 CI: Update GH action workflows

.github/workflows/tests.yml → .github/workflows/cd.yml

@@ -1,11 +1,9 @@
-name: CI
+name: CD
 
 on:
   push:
-    branches: [master, develop]
     tags:
-      - 'v*'
-  pull_request:
+      - "v[0-9]+.[0-9]+.[0-9]+*"
 
 jobs:
 
@@ -18,7 +16,29 @@ jobs:
       uses: actions/setup-python@v1
       with:
         python-version: 3.8
-    - uses: pre-commit/[email protected]
+      id: cache-pip
+    - uses: actions/cache@v1
+      with:
+        path: ~/.cache/pip
+        key: pip-${{ matrix.python-version }}-tests-${{ hashFiles('**/setup.json') }}
+        restore-keys:
+                    pip-${{ matrix.python-version }}-tests
+    - name: Set up Python
+      uses: actions/setup-python@v2
+      with:
+        python-version: ${{ matrix.python }}
+    - name: Upgrade pip
+      run: |
+        pip install --upgrade pip
+        pip --version
+    - name: Install wheel
+      run: pip install wheel
+    - name: Install AiiDA-LAMMPS
+      run: |
+        pip install -e .[testing,pre-commit]
+        pip freeze
+    - name: Run pre-commit
+      run: pre-commit run --all-files || ( git diff; git status; exit 1; )
 
   tests:
 
@@ -82,7 +102,7 @@ jobs:
 
     - name: Installation
       run: |
-        pip install -e .[testing]
+        pip install -e .[testing,pre-commit]
         reentry scan
 
     - name: Run pytest

.github/workflows/ci.yml

@@ -0,0 +1,119 @@
+name: CI
+
+on:
+  push:
+    branches: [master, develop]
+  pull_request:
+
+jobs:
+
+  pre-commit:
+    runs-on: ubuntu-latest
+
+    steps:
+    - uses: actions/checkout@v2
+    - name: Set up Python
+      uses: actions/setup-python@v1
+      with:
+        python-version: 3.8
+      id: cache-pip
+    - uses: actions/cache@v1
+      with:
+        path: ~/.cache/pip
+        key: pip-${{ matrix.python-version }}-tests-${{ hashFiles('**/setup.json') }}
+        restore-keys:
+                    pip-${{ matrix.python-version }}-tests
+    - name: Set up Python
+      uses: actions/setup-python@v2
+      with:
+        python-version: ${{ matrix.python }}
+    - name: Upgrade pip
+      run: |
+        pip install --upgrade pip
+        pip --version
+    - name: Install wheel
+      run: pip install wheel
+    - name: Install AiiDA-LAMMPS
+      run: |
+        pip install -e .[testing,pre-commit]
+        pip freeze
+    - name: Run pre-commit
+      run: pre-commit run --all-files || ( git diff; git status; exit 1; )
+
+  tests:
+
+    timeout-minutes: 30
+
+    strategy:
+      fail-fast: false
+      matrix:
+        include:
+        - python-version: 3.7
+          lammps-version: "2019.06.05"
+          backend: django
+        - python-version: 3.7
+          lammps-version: "2019.06.05"
+          backend: sqlalchemy
+        - python-version: 3.8
+          lammps-version: "2020.12.24"
+          backend: django
+        - python-version: 3.9
+          lammps-version: "2020.12.24"
+          backend: django
+
+    runs-on: ubuntu-latest
+
+    services:
+      postgres:
+        image: postgres:10
+        env:
+          POSTGRES_DB: test_${{ matrix.backend }}
+          POSTGRES_PASSWORD: ''
+          POSTGRES_HOST_AUTH_METHOD: trust
+        options: >-
+          --health-cmd pg_isready
+          --health-interval 10s
+          --health-timeout 5s
+          --health-retries 5
+        ports:
+          - 5432:5432
+      rabbitmq:
+        image: rabbitmq:latest
+        ports:
+          - 5672:5672
+
+    steps:
+    - uses: actions/checkout@v2
+
+    - name: Setup conda
+      uses: s-weigand/setup-conda@v1
+      with:
+        # update-conda: true
+        python-version: ${{ matrix.python-version }}
+        conda-channels: conda-forge
+
+    - name: install lammps
+      run: conda install -y lammps==${{ matrix.lammps-version }}
+
+    - name: Upgrade pip
+      run: |
+        pip install --upgrade pip
+        pip --version
+
+    - name: Installation
+      run: |
+        pip install -e .[testing,pre-commit]
+        reentry scan
+
+    - name: Run pytest
+      run: |
+        pytest  --lammps-exec lmp_serial --cov=aiida_lammps --cov-report=xml --cov-report=term-missing
+
+    - name: Upload to Codecov
+      if: matrix.python-version == 3.8
+      uses: codecov/codecov-action@v1
+      with:
+        name: pytests-lammps
+        flags: pytests
+        file: ./coverage.xml
+        fail_ci_if_error: true

.pre-commit-config.yaml

@@ -9,7 +9,7 @@ exclude: >
 
 repos:
 
-  - repo: git://github.com/pre-commit/pre-commit-hooks
+  - repo: https://github.com/pre-commit/pre-commit-hooks
     rev: v3.2.0
     hooks:
     - id: check-json