Docker: Add local Spack cache

tools/docker/Dockerfile.test_spack

@@ -28,12 +28,19 @@ RUN apt-get update -qq && apt-get install -qq --no-install-recommends \
     pkgconf \
     python3 \
     python3-dev \
+    python3-pip \
+    python3-venv \
     unzip \
     wget \
     xxd \
     xz-utils \
     zstd && rm -rf /var/lib/apt/lists/*
 
+# Create and activate a virtual environment for Python packages.
+RUN python3 -m venv /opt/venv
+ENV PATH="/opt/venv/bin:$PATH"
+RUN pip3 install --quiet boto3==1.38.11 google-cloud-storage==3.1.0
+
 # Install a recent Spack version
 WORKDIR /root/spack
 ARG SPACK_VERSION
@@ -50,12 +57,15 @@ RUN spack compiler find
 # Find all external packages
 RUN spack external find --all --not-buildable
 
-# Enable Spack build cache from the latest development version
-ARG SPACK_BUILD_CACHE
-ENV SPACK_BUILD_CACHE="${SPACK_BUILD_CACHE:-develop-2025-04-27}"
-RUN spack mirror add ${SPACK_BUILD_CACHE} https://binaries.spack.io/${SPACK_BUILD_CACHE} && \
+# Add public Spack cache from https://cache.spack.io
+RUN spack mirror add ${SPACK_VERSION}-cache https://binaries.spack.io/${SPACK_VERSION} && \
     spack buildcache keys --install --trust --force && \
-    spack mirror remove ${SPACK_BUILD_CACHE}
+    spack mirror remove ${SPACK_VERSION}-cache
+
+# Add local Spack cache.
+ARG SPACK_CACHE
+ENV SPACK_CACHE=${SPACK_CACHE:-"s3://spack-cache --s3-endpoint-url=http://localhost:9000"}
+RUN spack mirror add --autopush --unsigned local-cache ${SPACK_CACHE}
 
 # Copy Spack configuration and build recipes
 ARG CP2K_BUILD_TYPE

tools/docker/README.md

@@ -9,7 +9,8 @@ This directory hosts docker files for testing cp2k. They are mostly used by the
 To run a test one simply has to build the image:
 
 ```shell
-docker build --shm-size=1g -f Dockerfile.test_sdbg -t cp2k_test_sdbg ../../
+./spack_cache_start.sh
+docker build --network=host --shm-size=1g -f Dockerfile.test_sdbg -t cp2k_test_sdbg ../../
 ```
 
 To retrieve the cached report of an old image simply run it:

tools/docker/generate_dockerfiles.py

@@ -854,12 +854,19 @@ RUN apt-get update -qq && apt-get install -qq --no-install-recommends \
     pkgconf \
     python3 \
     python3-dev \
+    python3-pip \
+    python3-venv \
     unzip \
     wget \
     xxd \
     xz-utils \
     zstd && rm -rf /var/lib/apt/lists/*
 
+# Create and activate a virtual environment for Python packages.
+RUN python3 -m venv /opt/venv
+ENV PATH="/opt/venv/bin:$PATH"
+RUN pip3 install --quiet boto3==1.38.11 google-cloud-storage==3.1.0
+
 # Install a recent Spack version
 WORKDIR /root/spack
 ARG SPACK_VERSION
@@ -876,12 +883,15 @@ RUN spack compiler find
 # Find all external packages
 RUN spack external find --all --not-buildable
 
-# Enable Spack build cache from the latest development version
-ARG SPACK_BUILD_CACHE
-ENV SPACK_BUILD_CACHE="${{SPACK_BUILD_CACHE:-develop-2025-04-27}}"
-RUN spack mirror add ${{SPACK_BUILD_CACHE}} https://binaries.spack.io/${{SPACK_BUILD_CACHE}} && \
+# Add public Spack cache from https://cache.spack.io
+RUN spack mirror add ${{SPACK_VERSION}}-cache https://binaries.spack.io/${{SPACK_VERSION}} && \
     spack buildcache keys --install --trust --force && \
-    spack mirror remove ${{SPACK_BUILD_CACHE}}
+    spack mirror remove ${{SPACK_VERSION}}-cache
+
+# Add local Spack cache.
+ARG SPACK_CACHE
+ENV SPACK_CACHE=${{SPACK_CACHE:-"s3://spack-cache --s3-endpoint-url=http://localhost:9000"}}
+RUN spack mirror add --autopush --unsigned local-cache ${{SPACK_CACHE}}
 
 # Copy Spack configuration and build recipes
 ARG CP2K_BUILD_TYPE

tools/docker/spack_cache_list.sh

@@ -0,0 +1,7 @@
+#!/bin/bash -e
+
+# author: Ole Schuett
+
+docker exec spack-cache mc ls --recursive --summarize local/spack-cache
+
+#EOF

tools/docker/spack_cache_remove.sh

@@ -0,0 +1,7 @@
+#!/bin/bash -e
+
+# author: Ole Schuett
+
+docker rm spack-cache
+
+#EOF

tools/docker/spack_cache_start.sh

@@ -0,0 +1,27 @@
+#!/bin/bash -e
+
+# author: Ole Schuett
+
+if docker start spack-cache; then
+  echo "Re-started existing spack cache."
+
+else
+  # Start MinIO server.
+  docker run --name spack-cache --detach -p 9000:9000 -p 9001:9001 \
+    quay.io/minio/minio server /data --console-address ":9001"
+
+  sleep 3
+  docker container logs spack-cache
+
+  # Configure localhost.
+  docker exec spack-cache mc alias set local http://localhost:9000 minioadmin minioadmin
+
+  # Create bucket.
+  docker exec spack-cache mc mb local/spack-cache
+
+  # Make bucket public.
+  docker exec spack-cache mc anonymous set public local/spack-cache
+  echo "Started new spack cache."
+fi
+
+#EOF

tools/docker/spack_cache_stop.sh

@@ -0,0 +1,7 @@
+#!/bin/bash -e
+
+# author: Ole Schuett
+
+docker container stop spack-cache
+
+#EOF