diff --git a/tools/docker/Dockerfile.test_spack b/tools/docker/Dockerfile.test_spack
index 7b82909cb5..c1f8cd4103 100644
--- a/tools/docker/Dockerfile.test_spack
+++ b/tools/docker/Dockerfile.test_spack
@@ -36,32 +36,36 @@ RUN apt-get update -qq && apt-get install -qq --no-install-recommends \
     xz-utils \
     zstd && rm -rf /var/lib/apt/lists/*
 
-# Create and activate a virtual environment for Python packages.
+# Create and activate a virtual environment for Python packages
 RUN python3 -m venv /opt/venv
-ENV PATH="/opt/venv/bin:$PATH"
+ENV PATH="/opt/venv/bin:${PATH}"
 RUN pip3 install --quiet boto3==1.38.11 google-cloud-storage==3.1.0
 
-# Install Spack and Spack packages
+# Retrieve the number of available CPU cores
+ARG NUM_PROCS
+ENV NUM_PROCS=${NUM_PROCS:-32}
+
+# Install Spack and Spack packages from July 17, 2025
 WORKDIR /root/spack
 ARG SPACK_VERSION
-ENV SPACK_VERSION=${SPACK_VERSION:-2e7168b4cfe9222a94becf0c2c5b401f513181ec}
+ENV SPACK_VERSION=${SPACK_VERSION:-a572692b6da3ae74633b53b236023862f7284ad4}
 ARG SPACK_PACKAGES_VERSION
-ENV SPACK_PACKAGES_VERSION=${SPACK_PACKAGES_VERSION:-c63151a5baffcd96978966cd5ed83a6b8328e026}
+ENV SPACK_PACKAGES_VERSION=${SPACK_PACKAGES_VERSION:-97d47813671327ab07a5c840fa549d130baacbb2}
 ARG SPACK_REPO=https://github.com/spack/spack
-ENV SPACK_ROOT=/opt/spack-$SPACK_VERSION
+ENV SPACK_ROOT=/opt/spack-${SPACK_VERSION}
 ARG SPACK_PACKAGES_REPO=https://github.com/spack/spack-packages
-ENV SPACK_PACKAGES_ROOT=/opt/spack-packages-$SPACK_PACKAGES_VERSION
-RUN mkdir -p $SPACK_ROOT \
-    && wget -q $SPACK_REPO/archive/$SPACK_VERSION.tar.gz \
-    && tar -xzf $SPACK_VERSION.tar.gz -C /opt && rm -f $SPACK_VERSION.tar.gz \
-    && mkdir -p $SPACK_PACKAGES_ROOT \
-    && wget -q $SPACK_PACKAGES_REPO/archive/$SPACK_PACKAGES_VERSION.tar.gz \
-    && tar -xzf $SPACK_PACKAGES_VERSION.tar.gz -C /opt && rm -f $SPACK_PACKAGES_VERSION.tar.gz
+ENV SPACK_PACKAGES_ROOT=/opt/spack-packages-${SPACK_PACKAGES_VERSION}
+RUN mkdir -p ${SPACK_ROOT} \
+    && wget -q ${SPACK_REPO}/archive/${SPACK_VERSION}.tar.gz \
+    && tar -xzf ${SPACK_VERSION}.tar.gz -C /opt && rm -f ${SPACK_VERSION}.tar.gz \
+    && mkdir -p ${SPACK_PACKAGES_ROOT} \
+    && wget -q ${SPACK_PACKAGES_REPO}/archive/${SPACK_PACKAGES_VERSION}.tar.gz \
+    && tar -xzf ${SPACK_PACKAGES_VERSION}.tar.gz -C /opt && rm -f ${SPACK_PACKAGES_VERSION}.tar.gz
 
-ENV PATH="$SPACK_ROOT/bin:${PATH}"
+ENV PATH="${SPACK_ROOT}/bin:${PATH}"
 
 # Add Spack packages builtin repository
-RUN spack repo add --scope site $SPACK_PACKAGES_ROOT/repos/spack_repo/builtin
+RUN spack repo add --scope site ${SPACK_PACKAGES_ROOT}/repos/spack_repo/builtin
 
 # Find all compilers
 RUN spack compiler find
@@ -69,31 +73,27 @@ RUN spack compiler find
 # Find all external packages
 RUN spack external find --all --not-buildable
 
-# Add local Spack cache.
+# Add local Spack cache
 ARG SPACK_CACHE="s3://spack-cache --s3-endpoint-url=http://localhost:9000"
 COPY ./tools/docker/scripts/setup_spack_cache.sh ./
 RUN ./setup_spack_cache.sh
 
 # Copy Spack configuration and build recipes
+ARG CP2K_VERSION
+ENV CP2K_VERSION=${CP2K_VERSION:-psmp}
 ARG CP2K_BUILD_TYPE
 ENV CP2K_BUILD_TYPE=${CP2K_BUILD_TYPE:-all}
-COPY ./tools/spack/cp2k_deps_${CP2K_BUILD_TYPE}_psmp.yaml ./
-COPY ./tools/spack/cp2k_dev_repo $SPACK_PACKAGES_ROOT/repos/spack_repo/cp2k_dev_repo/
-RUN spack repo add --scope site $SPACK_PACKAGES_ROOT/repos/spack_repo/cp2k_dev_repo/
-
-# Sarus containers must be dynamically linked to an MPI implementation that is ABI-compatible
-# with the MPI on the compute nodes at CSCS like MPICH@3
-ARG MPICH_VERSION
-ENV MPICH_VERSION=${MPICH_VERSION:-4.3.0}
-RUN sed -i -e "s/mpich@[0-9.]*/mpich@${MPICH_VERSION}/" cp2k_deps_${CP2K_BUILD_TYPE}_psmp.yaml && \
-    spack env create myenv cp2k_deps_${CP2K_BUILD_TYPE}_psmp.yaml && \
+COPY ./tools/spack/cp2k_deps_${CP2K_BUILD_TYPE}_${CP2K_VERSION}.yaml ./
+COPY ./tools/spack/cp2k_dev_repo ${SPACK_PACKAGES_ROOT}/repos/spack_repo/cp2k_dev_repo/
+RUN spack repo add --scope site ${SPACK_PACKAGES_ROOT}/repos/spack_repo/cp2k_dev_repo/
+RUN spack env create myenv cp2k_deps_${CP2K_BUILD_TYPE}_${CP2K_VERSION}.yaml && \
     spack -e myenv repo list
 
 # Install CP2K dependencies via Spack
 RUN spack -e myenv concretize -f
-ENV SPACK_ENV_VIEW="$SPACK_ROOT/var/spack/environments/myenv/spack-env/view"
+ENV SPACK_ENV_VIEW="${SPACK_ROOT}/var/spack/environments/myenv/spack-env/view"
 RUN spack -e myenv env depfile -o spack_makefile && \
-    make -j32 --file=spack_makefile SPACK_COLOR=never --output-sync=recurse && \
+    make -j${NUM_PROCS} --file=spack_makefile SPACK_COLOR=never --output-sync=recurse && \
     cp -ar ${SPACK_ENV_VIEW}/bin ${SPACK_ENV_VIEW}/include ${SPACK_ENV_VIEW}/lib /opt/spack
 
 # Install CP2K sources.
diff --git a/tools/docker/generate_dockerfiles.py b/tools/docker/generate_dockerfiles.py
index 4c3f7e0c45..01d797cf1e 100755
--- a/tools/docker/generate_dockerfiles.py
+++ b/tools/docker/generate_dockerfiles.py
@@ -872,32 +872,36 @@ RUN apt-get update -qq && apt-get install -qq --no-install-recommends \
     xz-utils \
     zstd && rm -rf /var/lib/apt/lists/*
 
-# Create and activate a virtual environment for Python packages.
+# Create and activate a virtual environment for Python packages
 RUN python3 -m venv /opt/venv
-ENV PATH="/opt/venv/bin:$PATH"
+ENV PATH="/opt/venv/bin:${{PATH}}"
 RUN pip3 install --quiet boto3==1.38.11 google-cloud-storage==3.1.0
 
-# Install Spack and Spack packages
+# Retrieve the number of available CPU cores
+ARG NUM_PROCS
+ENV NUM_PROCS=${{NUM_PROCS:-32}}
+
+# Install Spack and Spack packages from July 17, 2025
 WORKDIR /root/spack
 ARG SPACK_VERSION
-ENV SPACK_VERSION=${{SPACK_VERSION:-2e7168b4cfe9222a94becf0c2c5b401f513181ec}}
+ENV SPACK_VERSION=${{SPACK_VERSION:-a572692b6da3ae74633b53b236023862f7284ad4}}
 ARG SPACK_PACKAGES_VERSION
-ENV SPACK_PACKAGES_VERSION=${{SPACK_PACKAGES_VERSION:-c63151a5baffcd96978966cd5ed83a6b8328e026}}
+ENV SPACK_PACKAGES_VERSION=${{SPACK_PACKAGES_VERSION:-97d47813671327ab07a5c840fa549d130baacbb2}}
 ARG SPACK_REPO=https://github.com/spack/spack
-ENV SPACK_ROOT=/opt/spack-$SPACK_VERSION
+ENV SPACK_ROOT=/opt/spack-${{SPACK_VERSION}}
 ARG SPACK_PACKAGES_REPO=https://github.com/spack/spack-packages
-ENV SPACK_PACKAGES_ROOT=/opt/spack-packages-$SPACK_PACKAGES_VERSION
-RUN mkdir -p $SPACK_ROOT \
-    && wget -q $SPACK_REPO/archive/$SPACK_VERSION.tar.gz \
-    && tar -xzf $SPACK_VERSION.tar.gz -C /opt && rm -f $SPACK_VERSION.tar.gz \
-    && mkdir -p $SPACK_PACKAGES_ROOT \
-    && wget -q $SPACK_PACKAGES_REPO/archive/$SPACK_PACKAGES_VERSION.tar.gz \
-    && tar -xzf $SPACK_PACKAGES_VERSION.tar.gz -C /opt && rm -f $SPACK_PACKAGES_VERSION.tar.gz
+ENV SPACK_PACKAGES_ROOT=/opt/spack-packages-${{SPACK_PACKAGES_VERSION}}
+RUN mkdir -p ${{SPACK_ROOT}} \
+    && wget -q ${{SPACK_REPO}}/archive/${{SPACK_VERSION}}.tar.gz \
+    && tar -xzf ${{SPACK_VERSION}}.tar.gz -C /opt && rm -f ${{SPACK_VERSION}}.tar.gz \
+    && mkdir -p ${{SPACK_PACKAGES_ROOT}} \
+    && wget -q ${{SPACK_PACKAGES_REPO}}/archive/${{SPACK_PACKAGES_VERSION}}.tar.gz \
+    && tar -xzf ${{SPACK_PACKAGES_VERSION}}.tar.gz -C /opt && rm -f ${{SPACK_PACKAGES_VERSION}}.tar.gz
 
-ENV PATH="$SPACK_ROOT/bin:${{PATH}}"
+ENV PATH="${{SPACK_ROOT}}/bin:${{PATH}}"
 
 # Add Spack packages builtin repository
-RUN spack repo add --scope site $SPACK_PACKAGES_ROOT/repos/spack_repo/builtin
+RUN spack repo add --scope site ${{SPACK_PACKAGES_ROOT}}/repos/spack_repo/builtin
 
 # Find all compilers
 RUN spack compiler find
@@ -905,31 +909,27 @@ RUN spack compiler find
 # Find all external packages
 RUN spack external find --all --not-buildable
 
-# Add local Spack cache.
+# Add local Spack cache
 ARG SPACK_CACHE="s3://spack-cache --s3-endpoint-url=http://localhost:9000"
 COPY ./tools/docker/scripts/setup_spack_cache.sh ./
 RUN ./setup_spack_cache.sh
 
 # Copy Spack configuration and build recipes
+ARG CP2K_VERSION
+ENV CP2K_VERSION=${{CP2K_VERSION:-{version}}}
 ARG CP2K_BUILD_TYPE
 ENV CP2K_BUILD_TYPE=${{CP2K_BUILD_TYPE:-all}}
-COPY ./tools/spack/cp2k_deps_${{CP2K_BUILD_TYPE}}_{version}.yaml ./
-COPY ./tools/spack/cp2k_dev_repo $SPACK_PACKAGES_ROOT/repos/spack_repo/cp2k_dev_repo/
-RUN spack repo add --scope site $SPACK_PACKAGES_ROOT/repos/spack_repo/cp2k_dev_repo/
-
-# Sarus containers must be dynamically linked to an MPI implementation that is ABI-compatible
-# with the MPI on the compute nodes at CSCS like MPICH@3
-ARG MPICH_VERSION
-ENV MPICH_VERSION=${{MPICH_VERSION:-4.3.0}}
-RUN sed -i -e "s/mpich@[0-9.]*/mpich@${{MPICH_VERSION}}/" cp2k_deps_${{CP2K_BUILD_TYPE}}_{version}.yaml && \
-    spack env create myenv cp2k_deps_${{CP2K_BUILD_TYPE}}_{version}.yaml && \
+COPY ./tools/spack/cp2k_deps_${{CP2K_BUILD_TYPE}}_${{CP2K_VERSION}}.yaml ./
+COPY ./tools/spack/cp2k_dev_repo ${{SPACK_PACKAGES_ROOT}}/repos/spack_repo/cp2k_dev_repo/
+RUN spack repo add --scope site ${{SPACK_PACKAGES_ROOT}}/repos/spack_repo/cp2k_dev_repo/
+RUN spack env create myenv cp2k_deps_${{CP2K_BUILD_TYPE}}_${{CP2K_VERSION}}.yaml && \
     spack -e myenv repo list
 
 # Install CP2K dependencies via Spack
 RUN spack -e myenv concretize -f
-ENV SPACK_ENV_VIEW="$SPACK_ROOT/var/spack/environments/myenv/spack-env/view"
+ENV SPACK_ENV_VIEW="${{SPACK_ROOT}}/var/spack/environments/myenv/spack-env/view"
 RUN spack -e myenv env depfile -o spack_makefile && \
-    make -j32 --file=spack_makefile SPACK_COLOR=never --output-sync=recurse && \
+    make -j${{NUM_PROCS}} --file=spack_makefile SPACK_COLOR=never --output-sync=recurse && \
     cp -ar ${{SPACK_ENV_VIEW}}/bin ${{SPACK_ENV_VIEW}}/include ${{SPACK_ENV_VIEW}}/lib /opt/spack
 """