Update github workflows

qiaojunfeng · Jul 3, 2023 · e26be99 · e26be99
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diff --git a/.ci/install_script.sh b/.ci/install_script.sh
diff --git a/.github/workflows/ci.yml b/.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: ${{ matrix.python-version }}
+
+      - name: Install the python project
+        run: pip install -e .[pre-commit]
+
+      - name: Run pre-commit
+        run: pre-commit run --all-files || ( git status --short; git diff; exit 1 )
+
   tests:
     runs-on: ubuntu-latest
+
     strategy:
       matrix:
-        python-version: [3.7, 3.8, 3.9]
-        install-type: [testing]
-        include:
-        - python-version: 3.8
-          install-type: testing_sdist
+        python-version: [3.8, 3.9, 3.10, 3.11]
+
     services:
       postgres:
-        image: postgres:10
+        image: postgres:12
         ports:
-        - 5432:5432
+          - 5432:5432
       rabbitmq:
         image: rabbitmq:latest
         ports:
-        - 5672:5672
+          - 5672:5672
+
+    steps:
+      - name: Checkout code
+        uses: actions/checkout@v3
+
+      - name: Cache Python dependencies
+        uses: actions/cache@v3
+        with:
+          path: ~/.cache/pip
+          key: pip-tests-${{ 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 intall -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
diff --git a/.github/workflows_source/ci.yml b/.github/workflows_source/ci.yml
diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml
@@ -25,13 +25,13 @@ repos:
       - id: check-toml
 
   - repo: https://github.com/asottile/pyupgrade
-    rev: v3.3.1
+    rev: v3.8.0
     hooks:
       - id: pyupgrade
         args: ["--py37-plus"]
 
   - repo: https://github.com/ikamensh/flynt/
-    rev: "0.77"
+    rev: "0.78"
     hooks:
       - id: flynt
         args: ["--line-length=120", "--fail-on-change"]
@@ -43,7 +43,7 @@ repos:
         additional_dependencies: ["toml"]
 
   - repo: https://github.com/psf/black
-    rev: 23.1.0
+    rev: 23.3.0
     hooks:
       - id: black
 
@@ -59,21 +59,8 @@ repos:
         args: ["--ignore=D104,D202,D203,D213"]
 
   - repo: https://github.com/PyCQA/pylint
-    rev: v2.16.2
+    rev: v3.0.0a6
     hooks:
       - id: pylint
         language: system
         exclude: *exclude_pyfiles
-
-  - repo: local
-    hooks:
-      - id: interpolate-workflows
-        name: Interpolate Github workflows
-        entry: python ./utils/interpolate_yaml_anchors.py
-        language: system
-        files: |
-          (?x)^(
-            .github/(.)*|
-            utils/interpolate_yaml_anchors.py
-          )$
-        pass_filenames: false
diff --git a/.readthedocs.yml b/.readthedocs.yml
@@ -14,7 +14,7 @@ formats: []
 
 # Optionally set the version of Python and requirements required to build your docs
 python:
-  version: 3.7
+  version: 3.11
   install:
     - method: pip
       path: .

diff --git a/CHANGELOG.md b/CHANGELOG.md
@@ -1,3 +1,9 @@
+# v2.1.0
+
+## New features
+
+- Support AiiDA v2.0 [[#117]](https://github.com/aiidateam/aiida-wannier90/issues/117)
+
 # v2.0.1
 
 ## Fixes and general improvements
@@ -33,9 +39,9 @@
 
 - General update of the documentation to include all new changes [[#91]](https://github.com/aiidateam/aiida-wannier90/pull/91) [[#52]](https://github.com/aiidateam/aiida-wannier90/pull/52)
 
-- Use aiida calcjob directive in documentation [[#86]](https://github.com/aiidateam/aiida-wannier90/pull/86) 
+- Use aiida calcjob directive in documentation [[#86]](https://github.com/aiidateam/aiida-wannier90/pull/86)
 
 - Example of GaAs wannierization (both as a single submission, and via a workchain using Quantum ESPRESSO) [[#77]](https://github.com/aiidateam/aiida-wannier90/pull/77) [[#84]](https://github.com/aiidateam/aiida-wannier90/pull/84)
-  
+
 # v1.0.0
-First working version of the plugin
+First working version of the plugin