Spack configuration

.github/workflows/docker.yml

@@ -0,0 +1,56 @@
+# Workflow to build the development Docker image
+name: Periodic Docker build
+
+# Controls when the workflow will run
+on:
+  # Triggers the workflow on pushes to open pull requests with changes to the Spack or Docker configuration
+  pull_request:
+    paths:
+      - .github/workflows/docker.yml
+      - docker/Dockerfile.devenv
+      - spack.yaml
+
+  # Triggers the workflow at 00:00 on the first day of every 3 months
+  schedule:
+    - cron: '0 0 1 */3 *'
+
+# Cancel jobs running if new commits are pushed
+concurrency:
+  group: ${{ github.workflow }}-${{ github.event.pull_request.number || github.ref }}
+  cancel-in-progress: true
+
+# Workflow run - one or more jobs that can run sequentially or in parallel
+jobs:
+  # This workflow contains a single job called "docker"
+  docker:
+    # The type of runner that the job will run on
+    runs-on: ubuntu-latest
+    permissions:
+      contents: read
+      packages: write
+
+    # Steps represent a sequence of tasks that will be executed as part of the job
+    steps:
+      # Checks-out your repository under $GITHUB_WORKSPACE, so your job can access it
+      - name: Checkout the repo
+        with:
+          persist-credentials: false
+        uses: actions/checkout@v4
+
+      - name: Setup Docker buildx
+        uses: docker/setup-buildx-action@v3
+
+      - name: Log into GitHub Container Repository
+        uses: docker/login-action@v3
+        with:
+          registry: ghcr.io
+          username: ${{ github.actor }}
+          password: ${{ secrets.GITHUB_TOKEN }}
+          logout: true
+
+      - name: Build container and push to ghcr
+        uses: docker/build-push-action@v5
+        with:
+          push: true
+          file: docker/Dockerfile.devenv
+          tags: ghcr.io/cambridge-iccs/ftorch-dev-env:latest

.github/workflows/test_suite_ubuntu.yml

@@ -42,6 +42,10 @@ jobs:
       matrix:
         std: ["f2008", "f2018"]
 
+    # The Docker container that the job will use
+    container:
+      image: ghcr.io/cambridge-iccs/ftorch-dev-env:latest
+
     # Steps represent a sequence of tasks that will be executed as part of the job
     steps:
       # Checks-out your repository under $GITHUB_WORKSPACE, so your job can access it
@@ -50,61 +54,47 @@ jobs:
           persist-credentials: false
         uses: actions/checkout@v4
 
-      - name: Install Python
-        uses: actions/setup-python@v5
-        with:
-          python-version: '3.x'
-
-      - name: Install PyTorch
+      - name: Create virtual environment
         run: |
-          python -m pip install --upgrade pip
+          . /opt/spack-environment/activate.sh
           python -m venv ftorch
           . ftorch/bin/activate
-          pip install torch torchvision --index-url https://download.pytorch.org/whl/cpu
 
-      # MPI is required by pFUnit
-      - name: Install an MPI distribution
-        run: |
-          sudo apt update
-          sudo apt install mpich
-
-      - name: Install pFUnit
-        run: |
-          export FC=/usr/bin/gfortran
-          export MPIF90=/usr/bin/mpif90
-          # TODO: Avoid version pinning (needed because version appears in install path)
-          git clone -b v4.10.0 https://github.com/Goddard-Fortran-Ecosystem/pFUnit.git
-          mkdir pFUnit/build
-          cd pFUnit/build
-          cmake ..
-          make -j 4 install
+      # tmate can be used to get an interactive ssh session to the github runner
+      # for debugging actions. See
+      # [here](https://github.com/mxschmitt/action-tmate) for more information.
+      # Uncomment these lines to debug the FTorch build.
+      # - name: Setup tmate session
+      #   uses: mxschmitt/action-tmate@v3
 
       - name: Build FTorch
         run: |
+          . /opt/spack-environment/activate.sh
           . ftorch/bin/activate
-          VN=$(python -c "import sys; print('.'.join(sys.version.split('.')[:2]))")
-          export Torch_DIR=${VIRTUAL_ENV}/lib/python${VN}/site-packages
-          export BUILD_DIR=$(pwd)/build
-          # NOTE: The pFUnit version (pinned during installation above) is used in the install path.
-          export PFUNIT_DIR=$(pwd)/pFUnit/build/installed/PFUNIT-4.10
-          mkdir ${BUILD_DIR}
-          cd ${BUILD_DIR}
+          VN="$(python -c 'import sys; print(".".join(sys.version.split(".")[:2]))')"
+          export Torch_DIR="/opt/view/lib/python${VN}/site-packages"
+          export PFUNIT_DIR="/opt/view/$(ls /opt/view | grep PFUNIT)"
+          export BUILD_DIR="$(pwd)/build"
+          mkdir "${BUILD_DIR}"
+          cd "${BUILD_DIR}"
           cmake .. \
             -DPython_EXECUTABLE="$(which python)" \
             -DCMAKE_BUILD_TYPE=Release \
-            -DCMAKE_INSTALL_PREFIX=${BUILD_DIR} \
+            -DCMAKE_INSTALL_PREFIX="${BUILD_DIR}" \
             -DCMAKE_BUILD_TESTS=TRUE \
-            -DCMAKE_PREFIX_PATH="${PFUNIT_DIR};${Torch_DIR}" \
+            -DCMAKE_PREFIX_PATH="/opt/view;${PFUNIT_DIR};${Torch_DIR}" \
             -DCMAKE_Fortran_FLAGS="-std=${{ matrix.std }}"
           cmake --build .
           cmake --install .
 
       - name: Run unit tests
         run: |
+          . /opt/spack-environment/activate.sh
           . ftorch/bin/activate
           ./run_test_suite.sh --verbose --unit-only
 
       - name: Run integration tests
         run: |
+          . /opt/spack-environment/activate.sh
           . ftorch/bin/activate
           ./run_test_suite.sh --verbose --integration-only

docker/Dockerfile.devenv

@@ -0,0 +1,52 @@
+# Build stage with Spack pre-installed and ready to be used
+FROM spack/ubuntu-jammy:0.21 AS builder
+
+# Install software from spack.yaml
+RUN mkdir /opt/spack-environment
+COPY spack.yaml /opt/spack-environment/spack.yaml
+RUN cd /opt/spack-environment \
+    && spack env activate . \
+    && spack install --fail-fast \
+    && spack gc -y
+
+# Install perl URI lib
+RUN apt update \
+    && apt install -y --no-install-recommends libany-uri-escape-perl \
+    && rm -rf /var/lib/apt/lists/*
+
+# Strip all the binaries
+RUN find -L /opt/views/view/* -type f -exec readlink -f '{}' \; | \
+    xargs file -i | \
+    grep 'charset=binary' | \
+    grep 'x-executable\|x-archive\|x-sharedlib' | \
+    awk -F: '{print $1}' | xargs strip
+
+# Modifications to the environment that are necessary to run
+RUN cd /opt/spack-environment \
+    && spack env activate --sh -d . > activate.sh
+
+# Bare OS image to run the installed executables
+FROM ubuntu:22.04
+
+# Copy necessary files from the builder stage
+COPY --from=builder /opt/spack-environment /opt/spack-environment
+COPY --from=builder /opt/software /opt/software
+COPY --from=builder /usr /usr
+# paths.view is a symlink, so copy the parent to avoid dereferencing and duplicating it
+COPY --from=builder /opt/views /opt/views
+
+# Create entrypoint script
+RUN { \
+      echo '#!/bin/sh'; \
+      echo '. /opt/spack-environment/activate.sh'; \
+      echo 'exec "$@"'; \
+    } > /entrypoint.sh \
+    && chmod a+x /entrypoint.sh \
+    && ln -s /opt/views/view /opt/view \
+    && apt update \
+    && apt install -y --no-install-recommends ca-certificates cpp m4 \
+    && rm -rf /var/lib/apt/lists/*
+
+# Set entrypoint and default command
+ENTRYPOINT [ "/entrypoint.sh" ]
+CMD [ "/bin/bash" ]

spack.yaml

@@ -0,0 +1,15 @@
+spack:
+  packages:
+    all:
+      compiler: [gcc@11:]
+  specs:
+  - cmake
+  - pfunit~mpi~openmp
+  - py-torch~cuda~mpi~openmp~mkldnn
+  - py-torchvision
+  - py-pip
+  concretizer:
+    unify: true
+  config:
+    install_tree: /opt/software
+  view: /opt/views/view