Merge pull request #118 from qiaojunfeng/fix/compatibility-aiida-2.0

Support aiida 2.0

.github/workflows/ci.yml

@@ -1,101 +1,111 @@
 name: Continuous Integration
 on: [push, pull_request]
+
 jobs:
-  docs:
-    runs-on: ubuntu-latest
-    strategy:
-      matrix:
-        python-version: [3.8]
-        install-type: [docs]
-    steps:
-    - name: Checkout code
-      uses: actions/checkout@v2
-    - uses: actions/cache@v2
-      with:
-        path: ~/.cache/pip
-        key: pip-${{ matrix.python-version }}-${{ matrix.install-type }}-${{ hashFiles('**/setup.json')
-          }}
-        restore-keys: pip-${{ matrix.python-version }}-${{ matrix.install-type }}
-    - name: Set up Python
-      uses: actions/setup-python@v2
-      with:
-        python-version: ${{ matrix.python-version }}
-    - name: Install the python project
-      env:
-        INSTALL_TYPE: ${{ matrix.install-type }}
-      run: .ci/install_script.sh
-    - name: Build documentation
-      env:
-        READTHEDOCS: 'True'
-      run: SPHINXOPTS='-nW' make -C docs html
-    - uses: actions/upload-artifact@v2
-      with:
-        name: doc-build
-        path: docs/build/html
   pre-commit:
     runs-on: ubuntu-latest
+
     strategy:
       matrix:
-        python-version: [3.8]
-        install-type: [dev_precommit]
+        python-version: ["3.11"]
+
     steps:
-    - name: Checkout code
-      uses: actions/checkout@v2
-    - uses: actions/cache@v2
-      with:
-        path: ~/.cache/pip
-        key: pip-${{ matrix.python-version }}-${{ matrix.install-type }}-${{ hashFiles('**/setup.json')
-          }}
-        restore-keys: pip-${{ matrix.python-version }}-${{ matrix.install-type }}
-    - name: Set up Python
-      uses: actions/setup-python@v2
-      with:
-        python-version: ${{ matrix.python-version }}
-    - name: Install the python project
-      env:
-        INSTALL_TYPE: ${{ matrix.install-type }}
-      run: .ci/install_script.sh
-    - name: Run pre-commit
-      run: pre-commit run --all-files || ( git status --short ; git diff ; exit 1
-        )
+      - name: Checkout code
+        uses: actions/checkout@v3
+
+      - name: Cache Python dependencies
+        uses: actions/cache@v3
+        with:
+          path: ~/.cache/pip
+          key: pip-pre-commit-${{ matrix.python-version }}-${{ hashFiles('**/pyproject.toml') }}
+          restore-keys: pip-pre-commit-${{ matrix.python-version }}
+
+      - name: Set up Python
+        uses: actions/setup-python@v4
+        with:
+          python-version: ${{ matrix.python-version }}
+
+      - name: Install the python project
+        run: pip install -e .[pre-commit,tests]
+
+      - name: Run pre-commit
+        run: pre-commit run --all-files || ( git status --short; git diff; exit 1 )
+
   tests:
     runs-on: ubuntu-latest
+
     strategy:
       matrix:
-        python-version: [3.7, 3.8, 3.9]
-        install-type: [testing]
-        include:
-        - python-version: 3.8
-          install-type: testing_sdist
+        python-version: ["3.8", "3.9", "3.10", "3.11"]
+
     services:
       postgres:
-        image: postgres:10
+        image: postgres:12
         ports:
-        - 5432:5432
+          - 5432:5432
       rabbitmq:
         image: rabbitmq:latest
         ports:
-        - 5672:5672
+          - 5672:5672
+
+    steps:
+      - name: Checkout code
+        uses: actions/checkout@v3
+
+      - name: Cache Python dependencies
+        uses: actions/cache@v3
+        with:
+          path: ~/.cache/pip
+          key: pip-tests-${{ matrix.python-version }}-${{ hashFiles('**/pyproject.toml') }}
+          restore-keys: pip-tests-${{ matrix.python-version }}
+
+      - name: Set up Python
+        uses: actions/setup-python@v4
+        with:
+          python-version: ${{ matrix.python-version }}
+
+      - name: Install the python project
+        run: pip install -e .[tests]
+
+      - name: Run pytest
+        run: pytest --cov=aiida_wannier90 --cov-report=xml --cov-config=.coveragerc
+        working-directory: tests
+
+      - name: Upload coverage data
+        run: codecov --file tests/coverage.xml
+
+  docs:
+    runs-on: ubuntu-latest
+
+    strategy:
+      matrix:
+        python-version: ["3.11"]
+
     steps:
-    - name: Checkout code
-      uses: actions/checkout@v2
-    - uses: actions/cache@v2
-      with:
-        path: ~/.cache/pip
-        key: pip-${{ matrix.python-version }}-${{ matrix.install-type }}-${{ hashFiles('**/setup.json')
-          }}
-        restore-keys: pip-${{ matrix.python-version }}-${{ matrix.install-type }}
-    - name: Set up Python
-      uses: actions/setup-python@v2
-      with:
-        python-version: ${{ matrix.python-version }}
-    - name: Install the python project
-      env:
-        INSTALL_TYPE: ${{ matrix.install-type }}
-      run: .ci/install_script.sh
-    - name: Run pytest
-      run: pytest --cov=aiida_wannier90 --cov-report=xml --cov-config=.coveragerc
-      working-directory: tests
-    - name: Upload coverage data
-      if: ${{ matrix.install-type == 'testing' }}
-      run: codecov --file tests/coverage.xml
+      - name: Checkout code
+        uses: actions/checkout@v3
+
+      - name: Cache Python dependencies
+        uses: actions/cache@v3
+        with:
+          path: ~/.cache/pip
+          key: pip-docs-${{ matrix.python-version }}-${{ hashFiles('**/pyproject.toml') }}
+          restore-keys: pip-docs-${{ matrix.python-version }}
+
+      - name: Set up Python
+        uses: actions/setup-python@v4
+        with:
+          python-version: ${{ matrix.python-version }}
+
+      - name: Install the python project
+        run: pip install -e .[docs]
+
+      - name: Build documentation
+        env:
+          READTHEDOCS: "True"
+        run: SPHINXOPTS='-nW' make -C docs html
+
+      - uses: actions/upload-artifact@v3
+        with:
+          name: doc-build
+          path: docs/build/html