From f814251ada33945270f24a84d5f87f58c7707717 Mon Sep 17 00:00:00 2001 From: Juan Carlos Graciosa Date: Wed, 29 Jul 2026 13:34:56 +1000 Subject: [PATCH 1/2] feat(container): rewrite Containerfile to use pixi runtime env --- .github/workflows/docker-image.yaml | 5 +- container/Containerfile | 173 ++++++++++++++++++++-------- environment.yaml | 3 + 3 files changed, 130 insertions(+), 51 deletions(-) diff --git a/.github/workflows/docker-image.yaml b/.github/workflows/docker-image.yaml index 3e2d0ca74..b72f95257 100644 --- a/.github/workflows/docker-image.yaml +++ b/.github/workflows/docker-image.yaml @@ -1,7 +1,7 @@ name: "GHCR: Command-Line Container" # Builds the Underworld3 command-line Docker image and pushes to GHCR. -# Uses container/Containerfile (micromamba-based image for local use). +# Uses container/Containerfile (pixi-based two-stage image for local use). # # This is separate from binder-image.yml which builds Binder-ready images # optimized for mybinder.org. @@ -12,7 +12,8 @@ on: paths: # Only rebuild when these files change - 'container/Containerfile' - - 'environment.yaml' + - 'pixi.toml' + - 'pixi.lock' - 'src/**/*.pyx' - 'src/**/*.c' - 'setup.py' diff --git a/container/Containerfile b/container/Containerfile index c586c03d1..7294c69af 100644 --- a/container/Containerfile +++ b/container/Containerfile @@ -1,64 +1,139 @@ # syntax=docker/dockerfile:1.7-labs - -### how to build Underworld3 image -### MUST run from the underworld3 top directory -# podman build . --rm \ -# --format docker \ -# -f ./container/Containerfile \ -# -t underworldcode/underworld3: # -### requires the '--format docker' to run on podman, but no under docker. +# Lean two-stage command-line container for Underworld3. +# Uses pixi (same package manager as the Binder image) to resolve packages +# from pixi.lock, eliminating PETSc version drift between container types. +# Drops vtk-osmesa (amd64-only wheel); uses conda-forge vtk + Mesa apt packages +# for headless rendering on both amd64 and arm64. +# +# Build (from underworld3 root): +# podman build . --format docker \ +# --build-arg SETUPTOOLS_SCM_PRETEND_VERSION=3.1.0 \ +# -f container/Containerfile \ +# -t underworldcode/underworld3:latest # +# Run: +# podman run --rm -p 8888:8888 \ +# -v "${HOME}/uw_space":/home/jovyan/host \ +# underworldcode/underworld3:latest # -### Example usage (taken from - https://jupyter-docker-stacks.readthedocs.io/en/latest/using/running.html#using-the-podman-cli ) -# uid=57439 -# gid=57439 +# MPI parallel (terminal tab inside the running container): +# mpirun -n 4 python my_script.py -# subuidSize=$(( $(podman info --format "{{ range .Host.IDMappings.UIDMap }}+{{.Size }}{{end }}" ) - 1 )) -# subgidSize=$(( $(podman info --format "{{ range .Host.IDMappings.GIDMap }}+{{.Size }}{{end }}" ) - 1 )) -# podman run -it --rm -p 10000:8888 -v "${HOME}/uw_space":/home/mambauser/host --uidmap $uid:0:1 --uidmap 0:1:$uid --uidmap $(($uid+1)):$(($uid+1)):$(($subuidSize-$uid)) --gidmap $gid:0:1 --gidmap 0:1:$gid --gidmap $(($gid+1)):$(($gid+1)):$(($subgidSize-$gid)) underworldcode/underworld3: +# ============================================================ +# Stage 1: builder — install pixi runtime env, compile UW3 +# ============================================================ +FROM ubuntu:24.04 AS builder -FROM docker.io/mambaorg/micromamba:2.3.0 +ENV DEBIAN_FRONTEND=noninteractive -# install os requirements for headless pyvista -USER root RUN apt-get update && apt-get install -y --no-install-recommends \ - xvfb \ - libgl1-mesa-dev \ + curl \ + ca-certificates \ && rm -rf /var/lib/apt/lists/* -USER $MAMBA_USER - -# create the conda environment with all dependencies -# see https://micromamba-docker.readthedocs.io/en/latest/quick_start.html#quick-start -COPY --chown=$MAMBA_USER:$MAMBA_USER environment.yaml /tmp/env.yaml -RUN micromamba install -y -v -n base -f /tmp/env.yaml && \ - micromamba clean --all --yes - -# activate mamba env during podman build -ARG MAMBA_DOCKERFILE_ACTIVATE=1 - -# pyvista - vtk-osmesa only available for amd64; arm64 falls back to conda-forge vtk -# see https://github.com/pyvista/pyvista/tree/main/docker -ARG TARGETARCH -RUN if [ "$TARGETARCH" = "amd64" ]; then \ - pip install --no-cache-dir --extra-index-url https://wheels.vtk.org vtk-osmesa; \ - fi - -# install UW3 -COPY --chown=$MAMBA_USER:$MAMBA_USER \ - --exclude=**/.git \ - . /home/$MAMBA_USER/underworld3 -WORKDIR /home/$MAMBA_USER/underworld3 + +# Ubuntu 24.04 ships 'ubuntu' at UID 1000 — remove it before creating jovyan +RUN userdel -r ubuntu 2>/dev/null || true && \ + useradd -m -s /bin/bash -u 1000 jovyan + +USER jovyan +WORKDIR /home/jovyan/underworld3 + +# Install pixi +RUN curl -fsSL https://pixi.sh/install.sh | sh +ENV PATH="/home/jovyan/.pixi/bin:$PATH" + +# Install the pixi runtime environment (resolved from pixi.lock — no solver run) +COPY --chown=jovyan:jovyan pixi.toml pixi.lock ./ +RUN pixi install -e runtime + +# Copy source, then compile and install UW3 into the runtime env. +# SETUPTOOLS_SCM_PRETEND_VERSION sets the version string (fixes 0.0.0+unknown +# on builds without a .git checkout). ARG SETUPTOOLS_SCM_PRETEND_VERSION=0.0.0+unknown +COPY --chown=jovyan:jovyan \ + --exclude=**/.git \ + --exclude=**/docs_legacy \ + --exclude=**/__pycache__ \ + . . RUN SETUPTOOLS_SCM_PRETEND_VERSION=${SETUPTOOLS_SCM_PRETEND_VERSION} \ - pip install --no-build-isolation --no-cache-dir . + pixi run -e runtime python -m pip install --no-build-isolation --no-cache-dir . -# allow jupyterlab for ipyvtk -ENV PYVISTA_OFF_SCREEN=true -ENV JUPYTER_ENABLE_LAB=yes -ENV PYVISTA_TRAME_SERVER_PROXY_PREFIX='/proxy/' +# Register a named Jupyter kernel so users see "Underworld3" in the kernel picker +RUN pixi run -e runtime python -m ipykernel install \ + --user --name=uw3 --display-name="Underworld3" + +# Clean up to reduce layer size +RUN pixi clean cache --yes 2>/dev/null || true && \ + find /home/jovyan -name "*.pyc" -delete 2>/dev/null || true && \ + find /home/jovyan -type d -name "__pycache__" -exec rm -rf {} + 2>/dev/null || true && \ + rm -rf /home/jovyan/underworld3/.pixi/envs/runtime/conda-meta && \ + rm -rf /home/jovyan/underworld3/.pixi/envs/runtime/man && \ + rm -rf /home/jovyan/.cache/pip -WORKDIR /home/$MAMBA_USER/ +# ============================================================ +# Stage 2: runtime — lean image with Mesa apt deps + pixi env +# ============================================================ +FROM ubuntu:24.04 + +ENV DEBIAN_FRONTEND=noninteractive + +# Runtime deps for headless pyvista/vtk (same as Dockerfile.base.optimized) +RUN apt-get update && apt-get install -y --no-install-recommends \ + libgl1 \ + libglu1-mesa \ + libosmesa6 \ + libglx-mesa0 \ + libxft2 \ + libxinerama1 \ + libxcursor1 \ + libxrender1 \ + libxext6 \ + libglib2.0-0 \ + libfreetype6 \ + xvfb \ + && rm -rf /var/lib/apt/lists/* + +RUN userdel -r ubuntu 2>/dev/null || true && \ + useradd -m -s /bin/bash -u 1000 jovyan + +# Copy the compiled pixi runtime environment (includes UW3 in site-packages) +COPY --from=builder --chown=jovyan:jovyan \ + /home/jovyan/underworld3/.pixi/envs/runtime \ + /home/jovyan/underworld3/.pixi/envs/runtime + +# Copy Jupyter kernel config — gives users a named "Underworld3" kernel +COPY --from=builder --chown=jovyan:jovyan \ + /home/jovyan/.local \ + /home/jovyan/.local + +# Copy full documentation, source, and beginner tutorials shortcut +COPY --from=builder --chown=jovyan:jovyan \ + /home/jovyan/underworld3/docs \ + /home/jovyan/underworld3/docs + +COPY --from=builder --chown=jovyan:jovyan \ + /home/jovyan/underworld3/src \ + /home/jovyan/underworld3/src + +# Tutorials shortcut at ~/Tutorials — same layout as the Binder image +COPY --from=builder --chown=jovyan:jovyan \ + /home/jovyan/underworld3/docs/beginner/tutorials \ + /home/jovyan/Tutorials + +USER jovyan +WORKDIR /home/jovyan/underworld3 + +# Use the runtime env's bin directly — no pixi overhead at runtime +ENV PATH="/home/jovyan/underworld3/.pixi/envs/runtime/bin:$PATH" + +# Headless rendering (same settings as Binder) +ENV PYVISTA_OFF_SCREEN=true +ENV LIBGL_ALWAYS_SOFTWARE=1 +ENV MESA_GL_VERSION_OVERRIDE=3.3 +ENV GALLIUM_DRIVER=llvmpipe +ENV VTK_DEFAULT_OPENGL_WINDOW=vtkOSOpenGLRenderWindow +ENV DISPLAY=:99 EXPOSE 8888 -CMD ["jupyter-lab", "--no-browser", "--ip=0.0.0.0"] +CMD ["jupyter", "lab", "--ip=0.0.0.0", "--no-browser"] diff --git a/environment.yaml b/environment.yaml index ed8327313..ad8f48151 100644 --- a/environment.yaml +++ b/environment.yaml @@ -1,3 +1,6 @@ +# Human-readable reference for the runtime dependencies. +# NOT used as a build input — the command-line container now uses pixi.lock. +# To update the container environment, edit pixi.toml and run: pixi update -e runtime name: uw3 channels: - 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