Merge pull request #143 from openkim/devel

Update GH actions to use latest conda-forge kim-api and test on macOS
openkim · Dec 17, 2023 · 35b9228 · 35b9228
2 parents 68691b6 + f7fadc0
commit 35b9228
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diff --git a/.github/release.yml b/.github/release.yml
@@ -0,0 +1,19 @@
+changelog:
+  exclude:
+    authors: [dependabot, github-actions]
+  categories:
+    - title: New Features 🎉
+      labels:
+        - feature
+    - title: Bug Fixes 🐛
+      labels:
+        - fix
+    - title: Enhancements 🛠
+      labels:
+        - enhancement
+    - title: Documentation 📖
+      labels:
+        - documentation
+    - title: Other Changes
+      labels:
+        - "*"
diff --git a/.github/workflows/testing.yml b/.github/workflows/testing.yml
@@ -8,67 +8,54 @@ jobs:
 
     steps:
       - uses: actions/checkout@v4
+
       - name: Set up Python
         uses: actions/setup-python@v4.7.1
         with:
-          python-version: "3.9"
+          python-version: "3.10"
+
       - name: Install dependencies
         run: |
           python -m pip install --upgrade pip
           pip install pre-commit
+
       - name: Lint
         run: pre-commit run --show-diff-on-failure --all-files
 
   test:
-    runs-on: ${{ matrix.os }}
     strategy:
       matrix:
-        os: [ubuntu-latest]
-        python-version: ["3.8", "3.9"]
+        os: [ubuntu-latest, macos-latest]
+        python-version: ["3.8", "3.9", "3.10"]
+
+    runs-on: ${{ matrix.os }}
 
     steps:
       - uses: actions/checkout@v4
-
-      - name: Install gcc
-        run: |
-          sudo apt-get update
-          sudo apt-get install -yq gcc
-          sudo apt-get install -yq gfortran
-
-      # cannot install cmake with apt-get, so using this action
-      - uses: lukka/get-cmake@latest
+      - name: Set up micromamba
+        uses: mamba-org/setup-micromamba@v1.7.3
         with:
-          cmakeVersion: "~3.25.0"
-
-      - name: Install kim-api
+          # the create command looks like this:
+          # `micromamba create -n test-env python=<the corresponding version> kim-api=2.3.0`
+          environment-name: test-env
+          cache-environment: true
+          create-args: >-
+            python=${{ matrix.python-version }}
+            kim-api=2.3.0
+
+      - name: Install KIM model
+        shell: bash -el {0}
         run: |
-          export KIMAPI_DIR=${PWD}
-          export KIM_API_VERSION="2.3.0"
-          cd $KIMAPI_DIR && cd ..
-          wget http://s3.openkim.org/kim-api/kim-api-$KIM_API_VERSION.txz
-          tar Jxvf kim-api-$KIM_API_VERSION.txz
-          cd kim-api-$KIM_API_VERSION
-          mkdir build && cd build
-          cmake .. -DCMAKE_BUILD_TYPE=Release
-          make -j2
-          sudo make install
-          sudo ldconfig
-
-          # install SW driver and model
-          cd $KIMAPI_DIR
           kim-api-collections-management install user SW_StillingerWeber_1985_Si__MO_405512056662_006
 
-      - name: Set up Python ${{ matrix.python-version }}
-        uses: actions/setup-python@v4.7.1
-        with:
-          python-version: ${{ matrix.python-version }}
-
       - name: Install
+        shell: bash -el {0}
         run: |
           python -m pip install --upgrade pip
           python -m pip install .[test]
 
-      - name: Test with pytest
+      - name: Run tests
+        shell: bash -el {0}
         run: |
           cd tests
           pytest
diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml
@@ -20,7 +20,7 @@ repos:
           - --filter-files
         exclude: ^docs/
 
-  - repo: https://github.com/psf/black
+  - repo: https://github.com/psf/black-pre-commit-mirror
     rev: 23.12.0
     hooks:
       - id: black