Merge pull request #8 from glotzerlab/refactor-ci

Migrate from docker images to micromamba.
glotzerlab · Jul 15, 2024 · 13a7376 · 13a7376
2 parents bbcf0ee + 47021c9
commit 13a7376
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diff --git a/.github/workflows/unit-test.yaml b/.github/workflows/unit-test.yaml
@@ -9,19 +9,21 @@ env:
 
   #############################################################################################
   # HOOMD-blue version to build.
-  HOOMD_BLUE_VERSION: 4.7.0
+  HOOMD_BLUE_VERSION: v4.8.0
   # prevent deadlocked MPI tests from causing the job to cancel
   MPIEXEC_TIMEOUT: 3000
   # allow mpirun to execute as root in the tests
   OMPI_ALLOW_RUN_AS_ROOT: 1
   OMPI_ALLOW_RUN_AS_ROOT_CONFIRM: 1
   # allow openmpi to oversubscribe cores
-  OMPI_MCA_rmaps_base_oversubscribe: 1
+  PRTE_MCA_rmaps_default_mapping_policy: ":oversubscribe"
+  OMPI_MCA_rmaps_base_oversubscribe: "true"
   # prevent errors from mis-configured openib systems
   OMPI_MCA_btl: "vader,self"
-  # import HOOMD out of the build directory
-  PYTHONPATH: ${{ github.workspace }}/install
-
+  # skip running the CPU tests in GPU builds
+  _HOOMD_SKIP_CPU_TESTS_WHEN_GPUS_PRESENT_: 1
+  # Require GPU tests in GPU builds.
+  _HOOMD_REQUIRE_GPU_TESTS_IN_GPU_BUILDS_: 1
 
 concurrency:
   group: ${{ github.workflow }}-${{ github.ref }}
@@ -41,9 +43,9 @@ defaults:
 jobs:
   build_test:
     name: Build and test [${{ matrix.name }}]
-    runs-on: ubuntu-latest
+    runs-on: ubuntu-24.04
     container:
-      image: glotzerlab/ci:2023.11.27-cuda120_gcc11_py310
+      image: nvidia/cuda:12.5.0-devel-ubuntu22.04
     strategy:
       fail-fast: false
       matrix:
@@ -67,15 +69,32 @@ jobs:
       uses: actions/cache/restore@v4
       with:
         path: install
-        key: hoomd-blue-${{ env.HOOMD_BLUE_VERSION }}-2023.11.27-cuda120_gcc11_py310-mpi-${{ matrix.enable_mpi }}-gpu-${{ matrix.enable_gpu }}
+        key: hoomd-blue-${{ env.HOOMD_BLUE_VERSION }}-${{ matrix.enable_mpi }}-gpu-${{ matrix.enable_gpu }}
+    - name: Install git
+      run: |
+        apt-get update
+        apt-get install git --yes
     - name: Checkout HOOMD-blue
-      if: steps.cache.outputs.cache-hit != 'true'
       uses: actions/checkout@v4
       with:
         repository: glotzerlab/hoomd-blue
         path: hoomd-blue
         submodules: true
-        ref: v${{ env.HOOMD_BLUE_VERSION }}
+        ref: ${{ env.HOOMD_BLUE_VERSION }}
+    - name: Create Python Environment
+      uses: mamba-org/setup-micromamba@v1
+      with:
+        environment-name: test
+        environment-file: hoomd-blue/.github/workflows/environments/py312-conda-lock.yml
+        micromamba-root-path: ${{ github.workspace }}/micromamba
+
+    - name: Configure conda environment variables
+      run: |
+        echo "PYTHONPATH=$GITHUB_WORKSPACE/install" >> $GITHUB_ENV
+        echo "CONDA_PREFIX=$MAMBA_ROOT_PREFIX/envs/test" >> $GITHUB_ENV
+        echo "CMAKE_PREFIX_PATH=$MAMBA_ROOT_PREFIX/envs/test" >> $GITHUB_ENV
+        echo "$MAMBA_ROOT_PREFIX/envs/test/bin" >> $GITHUB_PATH
+
     - name: Configure HOOMD-blue
       if: steps.cache.outputs.cache-hit != 'true'
       run: |
@@ -100,7 +119,7 @@ jobs:
       uses: actions/cache/save@v4
       with:
         path: install
-        key: hoomd-blue-${{ env.HOOMD_BLUE_VERSION }}-2023.11.27-cuda120_gcc11_py310-mpi-${{ matrix.enable_mpi }}-gpu-${{ matrix.enable_gpu }}
+        key: hoomd-blue-${{ env.HOOMD_BLUE_VERSION }}-${{ job.container.image }}-${{ matrix.enable_mpi }}-gpu-${{ matrix.enable_gpu }}
 
     - name: Checkout component
       uses: actions/checkout@v4

diff --git a/README.md b/README.md
@@ -31,6 +31,7 @@ Once installed, the template is available for import via:
 ```
 import hoomd.template
 ```
+(replace `template` with the `COMPONENT_NAME` you set in `src/CMakeLists.txt`).
 
 ## Creating a new component
 
@@ -47,7 +48,8 @@ To create a new component:
 When you push your changes to GitHub, the [unit test workflow](.github/workflows/unit-test.yaml)
 compile your code on the CPU (with and without MPI) and on the GPU (with and without MPI). The
 workflow also executes the unit tests on the CPU. You should run GPU unit tests locally, as GitHub
-does not provide free GPU runners for GitHub Actions.
+does not provide free GPU runners for GitHub Actions. As a one time step, you need to navigate to
+the "Actions" tab of your repository and confirm that GitHub should execute actions for your fork.
 
 When you push a new tag, the [release workflow](.github/workflows/release.yaml) will create a
 new GitHub release with automatically generated release notes.