Add CUDA deps-only base image for BOUT-dev CI by yassineAlouini · Pull Request #41 · boutproject/bout-container-base

yassineAlouini · 2026-02-16T18:06:56Z

Summary

Adds a CUDA dependencies base image (ci-cuda/) for use by BOUT-dev CI. This supersedes PR #39 with the following improvements:

Dockerfile: deps-only image (no BOUT++ clone/build — BOUT-dev CI handles that)
- Added libssl-dev to apt packages (required by libevent/OpenSSL for Spack builds)
- Added ^mpich constraint to netcdf-cxx4 and fftw specs (prevents building OpenMPI from source)
- Added openssl to spack external find
- Added --show-log-on-error to spack install
- Added /usr/local/bin/bout-env.bash helper script for activating the Spack env
- Removed bout-build stage, hardcoded password, and boutuser creation
CI workflow: removed unused matrix build-args (MPI, TYPE, OPENMP); set image tag to boutdev-cuda
README: simplified to reflect deps-only purpose

Publishes to ghcr.io/boutproject/bout-container-base:boutdev-cuda.

Companion PR: boutproject/BOUT-dev#3272

Fixes boutproject/BOUT-dev#3233

Test plan

CI builds the CUDA image successfully
BOUT-dev CUDA CI job pulls the new image and builds BOUT++

🤖 Generated with Claude Code

Co-Authored-By: Claude Opus 4.5 <noreply@anthropic.com> Co-Authored-By: Claude Opus 4.6 <noreply@anthropic.com>

- Add libssl-dev to apt packages (required by libevent/OpenSSL for Spack) - Add ^mpich constraint to netcdf-cxx4 and fftw (prevents building OpenMPI) - Add openssl to spack external find - Add --show-log-on-error to spack install - Add /usr/local/bin/bout-env.bash helper script - Remove bout-build stage (BOUT-dev CI handles cloning/building) - Remove hardcoded password and boutuser creation - Remove unused matrix build-args from CI workflow - Set image tag to boutdev-cuda - Simplify README to reflect deps-only purpose Co-Authored-By: Claude Opus 4.6 <noreply@anthropic.com>

dschwoerer

Thanks, looks good. Just a few small things.

dschwoerer · 2026-02-17T07:51:10Z

-      make -j 2 build-check && \
-      make check && cd ../.. && rm -rf BOUT-dev
+' > /usr/local/bin/bout-env.bash && \
+    chmod +x /usr/local/bin/bout-env.bash


It would be nice to make sure the image is working. This way we can test that regressions are not introduced by building a broken image.

Suggested change

chmod +x /usr/local/bin/bout-env.bash

chmod +x /usr/local/bin/bout-env.bash

USER boutuser

RUN git clone ${BOUT_URL} BOUT-dev && \

cd BOUT-dev && \

git checkout ${BOUT_COMMIT} && \

. /usr/local/bin/bout-env.bash && \

git submodule update --init --recursive && \

cmake -S . \

-B build \

-DCMAKE_C_COMPILER=gcc \

-DCMAKE_CXX_COMPILER=g++ \

-DBOUT_ENABLE_RAJA=on \

-DBOUT_ENABLE_UMPIRE=on \

-DBOUT_ENABLE_CUDA=on \

-DCMAKE_CUDA_ARCHITECTURES=80 \

-DCUDA_ARCH=compute_80,code=sm_80 \

-DBOUT_ENABLE_WARNINGS=off \

-DBOUT_USE_SYSTEM_FMT=on && \

cd build && \

make -j 2 build-check && \

make check && cd ../.. && rm -rf BOUT-dev

dschwoerer · 2026-02-17T07:51:57Z

-spack env activate /spack-env
-spack load cmake fmt raja umpire netcdf-cxx4 fftw
-```
+The image is rebuilt monthly by CI and on every push to `ci-cuda`.


once this is merged, it will be in the main branch.

dschwoerer · 2026-02-17T07:52:36Z


-This directory contains a Dockerfile for building BOUT++ with CUDA support.
+Dependencies-only base container for BOUT-dev CUDA CI. Provides a Spack-managed
+toolchain (CUDA 12.6, RAJA, Umpire, fmt, NetCDF, FFTW) on Ubuntu 22.04.


Can you remove that, so we do not duplicate that information in the docs and in the code?

dschwoerer · 2026-02-17T07:53:33Z

        with:
          images: ${{ env.REGISTRY }}/${{ env.IMAGE_NAME }}
+          tags: |
+            type=raw,value=boutdev-cuda


Can we call this ci-cuda, in line with ci-fedora?

dschwoerer · 2026-02-17T07:54:30Z

-Or simply use the helper script:
 ```bash
-/usr/local/bin/bout-env.sh <your-command>
+docker build -t boutdev-cuda:latest ci-cuda/


Does this also need fixing?

I will double check and come back to you later today. Thanks for the review.

- Add BOUT++ clone/build/test step to validate the image works - Rename image tag from boutdev-cuda to ci-cuda (consistent with ci-fedora) - Remove duplicated toolchain details from README - Fix local build command in README to use ci-cuda tag Co-Authored-By: Claude Opus 4.6 <noreply@anthropic.com>

dschwoerer · 2026-02-19T09:25:12Z

This is failing with:

#9 28.44 -- Creating BLT CUDA targets...
#9 28.44 CMake Error at /spack/opt/spack/linux-ubuntu22.04-zen2/gcc-11.4.0/camp-2024.07.0-r42j3swnnb7outsfkejfho7av3t2mkxs/lib/cmake/camp/thirdparty/BLTSetupCUDA.cmake:26 (message):
#9 28.44   CUDA language enabled prior to setting CMAKE_CUDA_HOST_COMPILER.  Please
#9 28.44   set CMAKE_CUDA_HOST_COMPILER prior to ENABLE_LANGUAGE(CUDA) or PROJECT(..
#9 28.44   LANGUAGES CUDA)
#9 28.44 Call Stack (most recent call first):
#9 28.44   /spack/opt/spack/linux-ubuntu22.04-zen2/gcc-11.4.0/camp-2024.07.0-r42j3swnnb7outsfkejfho7av3t2mkxs/lib/cmake/camp/BLTSetupTargets.cmake:97 (include)
#9 28.44   /spack/opt/spack/linux-ubuntu22.04-zen2/gcc-11.4.0/camp-2024.07.0-r42j3swnnb7outsfkejfho7av3t2mkxs/lib/cmake/camp/campConfig.cmake:29 (include)
#9 28.44   /spack/opt/spack/linux-ubuntu22.04-zen2/gcc-11.4.0/cmake-3.30.5-kcdsfgc3mi2bwfgzlyevya757y4kbpic/share/cmake-3.30/Modules/CMakeFindDependencyMacro.cmake:76 (find_package)
#9 28.44   /spack/opt/spack/linux-ubuntu22.04-zen2/gcc-11.4.0/umpire-2024.07.0-fewrejibm3ofrhv74gwelwqxfjm4uwva/lib/cmake/umpire/umpire-config.cmake:56 (find_dependency)
#9 28.44   cmake/SetupBOUTThirdParty.cmake:46 (find_package)
#9 28.44   CMakeLists.txt:482 (include)

Also, it seems no python packages are installed. Would it be possible to install them also into the image?

yassineAlouini · 2026-02-19T09:28:27Z

@dschwoerer Yes, I will make sure the CICD is passing.

camp/BLT requires CMAKE_CUDA_HOST_COMPILER to be set before ENABLE_LANGUAGE(CUDA). Without it, the cmake configuration fails with: "CUDA language enabled prior to setting CMAKE_CUDA_HOST_COMPILER" Co-Authored-By: Claude Opus 4.6 <noreply@anthropic.com>

…lidate stage - Downgrade fmt 11.0.2 -> 10.2.1 for CUDA/nvcc compatibility - Install BOUT++ Python dependencies (numpy, scipy, netcdf4, boutdata, etc.) - Move BOUT++ validation build into a separate 'validate' Docker stage (requires --gpus all; not run in CI since runners lack GPUs) - CI now builds 'setup-spack' target only to avoid GPU-requiring steps - Parameterize CUDA_ARCH in validate stage cmake flags Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>

dschwoerer

Thanks, looks goods 👍

ZedThree · 2026-02-26T16:52:54Z

This is using fmt 10, I'd really like to use the latest version, 12. It looks like the problem is that the compiler, gcc 16, is defaulting to C++20 -- so this needs boutproject/BOUT-dev#3265 to go in first

yassineAlouini and others added 5 commits February 11, 2026 11:54

Add CUDA Dockerfile with updated dependencies

06e0e61

Co-Authored-By: Claude Opus 4.5 <noreply@anthropic.com> Co-Authored-By: Claude Opus 4.6 <noreply@anthropic.com>

Cleanup Dockerfile

7ab3c60

CI: build ci-cuda image

24bbbe0

Fixup

45a3d39

dschwoerer requested changes Feb 17, 2026

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yassineAlouini and others added 2 commits February 20, 2026 09:15

dschwoerer approved these changes Feb 24, 2026

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dschwoerer merged commit a475211 into boutproject:main Feb 24, 2026
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Add CUDA deps-only base image for BOUT-dev CI#41

Add CUDA deps-only base image for BOUT-dev CI#41
dschwoerer merged 8 commits into
boutproject:mainfrom
yassineAlouini:ci-cuda

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-    chmod +x /usr/local/bin/bout-env.bash
+    chmod +x /usr/local/bin/bout-env.bash
+USER boutuser
+RUN git clone ${BOUT_URL} BOUT-dev && \
+    cd BOUT-dev && \
+    git checkout ${BOUT_COMMIT} && \
+    . /usr/local/bin/bout-env.bash && \
+    git submodule update --init --recursive && \
+    cmake -S . \
+            -B build \
+            -DCMAKE_C_COMPILER=gcc \
+            -DCMAKE_CXX_COMPILER=g++ \
+            -DBOUT_ENABLE_RAJA=on \
+            -DBOUT_ENABLE_UMPIRE=on \
+            -DBOUT_ENABLE_CUDA=on \
+            -DCMAKE_CUDA_ARCHITECTURES=80 \
+            -DCUDA_ARCH=compute_80,code=sm_80 \
+            -DBOUT_ENABLE_WARNINGS=off \
+            -DBOUT_USE_SYSTEM_FMT=on && \
+      cd build && \
+      make -j 2 build-check && \
+      make check && cd ../.. && rm -rf BOUT-dev

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yassineAlouini commented Feb 16, 2026

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