Merge branch 'develop' into uniform_error_calculation

mala-project · Jul 26, 2024 · 44fd34a · 44fd34a
2 parents 049d51d + 0fed9cc
commit 44fd34a
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Showing 2 changed files with 19 additions and 14 deletions.
diff --git a/.github/workflows/cpu-tests.yml b/.github/workflows/cpu-tests.yml
@@ -35,6 +35,8 @@ jobs:
     steps:
       - name: Check out repository
         uses: actions/checkout@v4
+        with:
+          fetch-depth: '1'
 
       - name: Set environment variables
         run: |
@@ -62,7 +64,7 @@ jobs:
           fi
 
       - name: Pull latest image from container registry
-        run: docker pull $IMAGE_REPO/$IMAGE_NAME || true
+        run: docker pull $IMAGE_REPO/$IMAGE_NAME --quiet || true
 
       - name: Build temporary Docker image
         run: |
@@ -131,12 +133,12 @@ jobs:
 
       - name: "Prepare environment: Load Docker image from cache"
         if: env.DOCKER_TAG != 'latest'
-        run: docker load -i $DOCKER_CACHE_PATH/docker-image.tar.gz
+        run: docker load -i $DOCKER_CACHE_PATH/docker-image.tar.gz --quiet
 
       - name: "Prepare environment: Pull latest image from container registry"
         if: env.DOCKER_TAG == 'latest'
         run: |
-          docker pull $IMAGE_REPO/$IMAGE_NAME:latest
+          docker pull $IMAGE_REPO/$IMAGE_NAME:latest --quiet
           docker image tag $IMAGE_REPO/$IMAGE_NAME:latest $IMAGE_NAME:latest
 
       - name: "Prepare environment: Run Docker container"
@@ -155,6 +157,8 @@ jobs:
 
       - name: Check out repository (mala)
         uses: actions/checkout@v4
+        with:
+          fetch-depth: '1'
 
       - name: Install mala package
         # Exec all commands inside the mala-cpu container
@@ -174,7 +178,13 @@ jobs:
 
           # if comparison fails, `install/mala_cpu_[base]_environment.yml` needs to be aligned with
           # `requirements.txt` and/or extra dependencies are missing in the Docker Conda environment
-          diff --side-by-side --color=always env_before.yml env_after.yml
+
+          if diff --brief env_before.yml env_after.yml
+          then
+            echo "Files env_before.yml and env_after.yml do not differ."
+          else
+            diff --side-by-side --color-always env_before.yml env_after.yml
+          fi
 
       - name: Download test data repository from RODARE
         shell: 'bash -c "docker exec -i mala-cpu python < {0}"'
@@ -229,9 +239,6 @@ jobs:
       ((contains(github.ref_name, 'develop') || contains(github.ref_name, 'master')) && needs.build-docker-image-cpu.outputs.docker-tag != 'latest')
       || startsWith(github.ref, 'refs/tags/')
     steps:
-      - name: Check out repository
-        uses: actions/checkout@v4
-
       - name: "Prepare environment: Restore cache"
         if: env.DOCKER_TAG != 'latest'
         uses: actions/cache@v4
@@ -242,21 +249,19 @@ jobs:
 
       - name: "Prepare environment: Load Docker image from cache"
         if: env.DOCKER_TAG != 'latest'
-        run: docker load -i $DOCKER_CACHE_PATH/docker-image.tar.gz
+        run: docker load -i $DOCKER_CACHE_PATH/docker-image.tar.gz --quiet
 
       - name: "Prepare environment: Pull latest image from container registry"
         if: env.DOCKER_TAG == 'latest'
-        run: docker pull $IMAGE_REPO/$IMAGE_NAME:latest
+        run: docker pull $IMAGE_REPO/$IMAGE_NAME:latest --quiet
 
       - name: Tag Docker image
         run: |
           # Execute on change of Docker image
           if [[ "$DOCKER_TAG" != 'latest' ]]; then
-            GIT_SHA=${GITHUB_REF_NAME}-$(git rev-parse --short "$GITHUB_SHA")
-            echo "GIT_SHA=$GIT_SHA"
 
             docker tag $IMAGE_NAME:$GITHUB_RUN_ID $IMAGE_REPO/$IMAGE_NAME:latest
-            docker tag $IMAGE_NAME:$GITHUB_RUN_ID $IMAGE_REPO/$IMAGE_NAME:$GIT_SHA
+            docker tag $IMAGE_NAME:$GITHUB_RUN_ID $IMAGE_REPO/$IMAGE_NAME:${GITHUB_REF_NAME}-${GITHUB_SHA:0:7}
           fi
 
           # Execute on push of git tag
@@ -272,4 +277,4 @@ jobs:
         run: echo "${{ secrets.GITHUB_TOKEN }}" | docker login ghcr.io -u ${{ github.actor }} --password-stdin
 
       - name: Push Docker image
-        run: docker push $IMAGE_REPO/$IMAGE_NAME --all-tags
+        run: docker push $IMAGE_REPO/$IMAGE_NAME --all-tags | grep -v -E 'Waiting|Layer already|Preparing|Pushed'
diff --git a/docs/source/install/installing_lammps.rst b/docs/source/install/installing_lammps.rst
@@ -43,7 +43,7 @@ The MALA team recommends to build LAMMPS with ``cmake``. To do so
         shipped with the LAMMPS code, should be at ``/your/path/to/lammps/lib/kokkos/bin/nvcc_wrapper``
 
     For example, this configures the LAMMPS cmake build with Kokkos support
-  for an Intel Haswell CPU and an Nvidia Volta GPU, with MPI support:
+    for an Intel Haswell CPU and an Nvidia Volta GPU, with MPI support:
 
       .. code-block:: bash