Dockerfile.test-env

# Dockerfile describing development and testing environments of FEniCSx
#
# Authors:
# Jack S. Hale <jack.hale@uni.lu>
# Lizao Li <lzlarryli@gmail.com>
# Garth N. Wells <gnw20@cam.ac.uk>
# Jan Blechta <blechta@karlin.mff.cuni.cz>
#
# You can build an optimised version of the FEniCS development environment
# (without the FEniCS components) for your platform using the command:
#
#    docker build --target dev-env --file dolfinx/docker/Dockerfile.test-env --build-arg PETSC_SLEPC_OPTFLAGS="-O2 -march=native" .
#

ARG ADIOS2_VERSION=2.10.2
ARG DOXYGEN_VERSION=1_13_1
ARG GMSH_VERSION=4_13_1
ARG HDF5_VERSION=1.14.5
ARG KAHIP_VERSION=3.17
# NOTE: The NumPy version (https://pypi.org/project/numpy/#history)
# should be pinned to the most recent NumPy release that is supported by
# the most recent Numba release, see
# https://numba.readthedocs.io/en/stable/user/installing.html#version-support-information
ARG NUMPY_VERSION=2.0.2
ARG PETSC_VERSION=3.22.2
ARG SLEPC_VERSION=3.22.2

ARG MPICH_VERSION=4.2.3
ARG OPENMPI_SERIES=5.0
ARG OPENMPI_PATCH=6

########################################

FROM ubuntu:24.04 AS dev-env
LABEL maintainer="FEniCS Steering Council <fenics-steering-council@googlegroups.com>"
LABEL description="FEniCS testing and development environment with PETSc real, complex, 32-bit and 64-bit modes"

ARG DOXYGEN_VERSION
ARG GMSH_VERSION
ARG HDF5_VERSION
ARG PETSC_VERSION
ARG SLEPC_VERSION
ARG ADIOS2_VERSION
ARG KAHIP_VERSION
ARG NUMPY_VERSION
ARG MPICH_VERSION
ARG OPENMPI_SERIES
ARG OPENMPI_PATCH

# The following ARGS are used in the dev-env layer.
# They are safe defaults. They can be overridden by the user.
# Compiler optimisation flags for SLEPc and PETSc, all languages.
ARG PETSC_SLEPC_OPTFLAGS="-O2"
# Turn on PETSc and SLEPc debugging. "yes" or "no".
ARG PETSC_SLEPC_DEBUGGING="no"

# MPI variant. "mpich" or "openmpi".
ARG MPI="mpich"

# Number of build threads to use with make
ARG BUILD_NP=4

WORKDIR /tmp

# Environment variables
ENV OPENBLAS_NUM_THREADS=1 \
    OPENBLAS_VERBOSE=0

# Install dependencies available via apt-get.
# - First set of packages are required to build and run FEniCS.
# - Second set of packages are recommended and/or required to build
#   documentation or tests.
# - Third set of packages are optional, but required to run gmsh
#   pre-built binaries.
RUN export DEBIAN_FRONTEND=noninteractive && \
    apt-get -qq update && \
    apt-get -yq --with-new-pkgs -o Dpkg::Options::="--force-confold" upgrade && \
    apt-get -y install \
    cmake \
    g++ \
    gfortran \
    libboost-dev \
    liblapack-dev \
    libopenblas-dev \
    libpugixml-dev \
    libspdlog-dev \
    ninja-build \
    pkg-config \
    python3-dev \
    python3-pip \
    python3-venv && \
    #
    apt-get -y install \
    catch2 \
    git \
    graphviz \
    libeigen3-dev \
    valgrind \
    wget && \
    #
    apt-get -y install \
    libglu1 \
    libxcursor-dev \
    libxft2 \
    libxinerama1 \
    libfltk1.3-dev \
    libfreetype6-dev  \
    libgl1-mesa-dev \
    libocct-foundation-dev \
    libocct-data-exchange-dev && \
    apt-get clean && \
    rm -rf /var/lib/apt/lists/* /tmp/* /var/tmp/*

# Install Doxygen
RUN apt-get -qq update && \
    apt-get -y install bison flex && \
    wget -nc --quiet https://github.com/doxygen/doxygen/archive/refs/tags/Release_${DOXYGEN_VERSION}.tar.gz && \
    tar xfz Release_${DOXYGEN_VERSION}.tar.gz && \
    cd doxygen-Release_${DOXYGEN_VERSION} && \
    cmake -G Ninja -DCMAKE_BUILD_TYPE=Release -B build-dir . && \
    cmake --build build-dir  -j 2 && \
    cmake --install build-dir && \
    apt-get -y purge bison flex && \
    apt-get -y autoremove && \
    apt-get clean && \
    rm -rf /tmp/*

# Install MPI
RUN if [ "$MPI" = "mpich" ]; then \
    wget https://www.mpich.org/static/downloads/${MPICH_VERSION}/mpich-${MPICH_VERSION}.tar.gz && \
    tar xfz mpich-${MPICH_VERSION}.tar.gz  && \
    cd mpich-${MPICH_VERSION}  && \
    ./configure && \
    make -j${BUILD_NP} install; \
    else \
    wget https://download.open-mpi.org/release/open-mpi/v${OPENMPI_SERIES}/openmpi-${OPENMPI_SERIES}.${OPENMPI_PATCH}.tar.gz && \
    tar xfz openmpi-${OPENMPI_SERIES}.${OPENMPI_PATCH}.tar.gz  && \
    cd openmpi-${OPENMPI_SERIES}.${OPENMPI_PATCH} && \
    ./configure  && \
    make -j${BUILD_NP} install; \
    fi && \
    ldconfig && \
    rm -rf /tmp/*

ENV VIRTUAL_ENV=/dolfinx-env
ENV PATH=/dolfinx-env/bin:$PATH
RUN python3 -m venv ${VIRTUAL_ENV}

# Install Python packages (via pip)
RUN pip install --no-cache-dir --upgrade pip setuptools wheel && \
    pip install --no-cache-dir cython numpy==${NUMPY_VERSION} && \
    pip install --no-cache-dir mpi4py

# Install KaHIP
RUN wget -nc --quiet https://github.com/kahip/kahip/archive/v${KAHIP_VERSION}.tar.gz && \
    tar -xf v${KAHIP_VERSION}.tar.gz && \
    cmake -G Ninja -DCMAKE_BUILD_TYPE=Release -DNONATIVEOPTIMIZATIONS=on -B build-dir -S KaHIP-${KAHIP_VERSION} && \
    cmake --build build-dir && \
    cmake --install build-dir && \
    rm -rf /tmp/*

# Install HDF5
# Note: HDF5 CMake install has numerous bugs and inconsistencies. Test carefully.
# HDF5 overrides CMAKE_INSTALL_PREFIX by default, hence it is set
# below to ensure that HDF5 is installed into a path where it can be
# found.
RUN wget -nc --quiet https://github.com/HDFGroup/hdf5/archive/refs/tags/hdf5_${HDF5_VERSION}.tar.gz && \
    tar xfz hdf5_${HDF5_VERSION}.tar.gz && \
    cmake -G Ninja -DCMAKE_INSTALL_PREFIX=/usr/local -DCMAKE_BUILD_TYPE=Release -DHDF5_ENABLE_PARALLEL=on -DHDF5_ENABLE_Z_LIB_SUPPORT=on -B build-dir -S hdf5-hdf5_${HDF5_VERSION} && \
    cmake --build build-dir && \
    cmake --install build-dir && \
    rm -rf /tmp/*

# Install ADIOS2 (Python interface in /usr/local/lib), same as GMSH
RUN wget -nc --quiet https://github.com/ornladios/ADIOS2/archive/v${ADIOS2_VERSION}.tar.gz -O adios2-v${ADIOS2_VERSION}.tar.gz && \
    mkdir -p adios2-v${ADIOS2_VERSION} && \
    tar -xf adios2-v${ADIOS2_VERSION}.tar.gz -C adios2-v${ADIOS2_VERSION} --strip-components 1 && \
    cmake -G Ninja -DADIOS2_USE_HDF5=on -DCMAKE_INSTALL_PYTHONDIR=/usr/local/lib/ -DADIOS2_USE_Fortran=off -DBUILD_TESTING=off -DADIOS2_BUILD_EXAMPLES=off -DADIOS2_USE_ZeroMQ=off -B build-dir -S ./adios2-v${ADIOS2_VERSION} && \
    cmake --build build-dir && \
    cmake --install build-dir && \
    rm -rf /tmp/*

# Install GMSH
RUN git clone -b gmsh_${GMSH_VERSION} --single-branch --depth 1 https://gitlab.onelab.info/gmsh/gmsh.git && \
    cmake -G Ninja -DCMAKE_BUILD_TYPE=Release -DENABLE_BUILD_DYNAMIC=1  -DENABLE_OPENMP=1 -B build-dir -S gmsh && \
    cmake --build build-dir && \
    cmake --install build-dir && \
    rm -rf /tmp/*

# GMSH installs python library in /usr/local/lib, see: https://gitlab.onelab.info/gmsh/gmsh/-/issues/1414
ENV PYTHONPATH=/usr/local/lib:$PYTHONPATH

# Install PETSc and petsc4py with real and complex types
ENV PETSC_DIR=/usr/local/petsc SLEPC_DIR=/usr/local/slepc
RUN apt-get -qq update && \
    apt-get -y install bison flex && \
    git clone --depth=1 -b v${PETSC_VERSION} https://gitlab.com/petsc/petsc.git ${PETSC_DIR} && \
    cd ${PETSC_DIR} && \
    # Real32, 32-bit int
    ./configure \
    PETSC_ARCH=linux-gnu-real32-32 \
    --COPTFLAGS="${PETSC_SLEPC_OPTFLAGS}" \
    --CXXOPTFLAGS="${PETSC_SLEPC_OPTFLAGS}" \
    --FOPTFLAGS="${PETSC_SLEPC_OPTFLAGS}" \
    --with-64-bit-indices=no \
    --with-debugging=${PETSC_SLEPC_DEBUGGING} \
    --with-fortran-bindings=no \
    --with-shared-libraries \
    --download-metis \
    --download-mumps-avoid-mpi-in-place \
    --download-mumps \
    --download-ptscotch \
    --download-scalapack \
    --download-superlu \
    --download-superlu_dist \
    --with-scalar-type=real \
    --with-precision=single && \
    make PETSC_ARCH=linux-gnu-real32-32 ${MAKEFLAGS} all && \
    # Complex64, 32-bit int
    ./configure \
    PETSC_ARCH=linux-gnu-complex64-32 \
    --COPTFLAGS="${PETSC_SLEPC_OPTFLAGS}" \
    --CXXOPTFLAGS="${PETSC_SLEPC_OPTFLAGS}" \
    --FOPTFLAGS="${PETSC_SLEPC_OPTFLAGS}" \
    --with-64-bit-indices=no \
    --with-debugging=${PETSC_SLEPC_DEBUGGING} \
    --with-fortran-bindings=no \
    --with-shared-libraries \
    --download-metis \
    --download-mumps-avoid-mpi-in-place \
    --download-mumps \
    --download-ptscotch \
    --download-scalapack \
    --download-superlu \
    --download-superlu_dist \
    --with-scalar-type=complex \
    --with-precision=single && \
    make PETSC_ARCH=linux-gnu-complex64-32 ${MAKEFLAGS} all && \
    # Real64, 32-bit int
    ./configure \
    PETSC_ARCH=linux-gnu-real64-32 \
    --COPTFLAGS="${PETSC_SLEPC_OPTFLAGS}" \
    --CXXOPTFLAGS="${PETSC_SLEPC_OPTFLAGS}" \
    --FOPTFLAGS="${PETSC_SLEPC_OPTFLAGS}" \
    --with-64-bit-indices=no \
    --with-debugging=${PETSC_SLEPC_DEBUGGING} \
    --with-fortran-bindings=no \
    --with-shared-libraries \
    --download-hypre \
    --download-metis \
    --download-mumps-avoid-mpi-in-place \
    --download-mumps \
    --download-ptscotch \
    --download-scalapack \
    --download-spai \
    --download-suitesparse \
    --download-superlu \
    --download-superlu_dist \
    --with-scalar-type=real \
    --with-precision=double && \
    make PETSC_ARCH=linux-gnu-real64-32 ${MAKEFLAGS} all && \
    # Complex128, 32-bit int
    ./configure \
    PETSC_ARCH=linux-gnu-complex128-32 \
    --COPTFLAGS="${PETSC_SLEPC_OPTFLAGS}" \
    --CXXOPTFLAGS="${PETSC_SLEPC_OPTFLAGS}" \
    --FOPTFLAGS="${PETSC_SLEPC_OPTFLAGS}" \
    --with-64-bit-indices=no \
    --with-debugging=${PETSC_SLEPC_DEBUGGING} \
    --with-fortran-bindings=no \
    --with-shared-libraries \
    --download-hypre \
    --download-metis \
    --download-mumps-avoid-mpi-in-place \
    --download-mumps \
    --download-ptscotch \
    --download-scalapack \
    --download-suitesparse \
    --download-superlu \
    --download-superlu_dist \
    --with-scalar-type=complex \
    --with-precision=double && \
    make PETSC_ARCH=linux-gnu-complex128-32 ${MAKEFLAGS} all && \
    # Real64, 64-bit int
    ./configure \
    PETSC_ARCH=linux-gnu-real64-64 \
    --COPTFLAGS="${PETSC_SLEPC_OPTFLAGS}" \
    --CXXOPTFLAGS="${PETSC_SLEPC_OPTFLAGS}" \
    --FOPTFLAGS="${PETSC_SLEPC_OPTFLAGS}" \
    --with-64-bit-indices=yes \
    --with-debugging=${PETSC_SLEPC_DEBUGGING} \
    --with-fortran-bindings=no \
    --with-shared-libraries \
    --download-hypre \
    --download-mumps-avoid-mpi-in-place \
    --download-mumps \
    --download-ptscotch \
    --download-scalapack \
    --download-suitesparse \
    --download-superlu_dist \
    --with-scalar-type=real \
    --with-precision=double && \
    make PETSC_ARCH=linux-gnu-real64-64 ${MAKEFLAGS} all && \
    # Complex128, 64-bit int
    ./configure \
    PETSC_ARCH=linux-gnu-complex128-64 \
    --COPTFLAGS="${PETSC_SLEPC_OPTFLAGS}" \
    --CXXOPTFLAGS="${PETSC_SLEPC_OPTFLAGS}" \
    --FOPTFLAGS="${PETSC_SLEPC_OPTFLAGS}" \
    --with-64-bit-indices=yes \
    --with-debugging=${PETSC_SLEPC_DEBUGGING} \
    --with-fortran-bindings=no \
    --with-shared-libraries \
    --download-hypre \
    --download-mumps-avoid-mpi-in-place \
    --download-mumps \
    --download-ptscotch \
    --download-scalapack \
    --download-suitesparse \
    --download-superlu_dist \
    --with-scalar-type=complex \
    --with-precision=double && \
    make PETSC_ARCH=linux-gnu-complex128-64 ${MAKEFLAGS} all && \
    # Install petsc4py
    cd src/binding/petsc4py && \
    PETSC_ARCH=linux-gnu-real32-32:linux-gnu-complex64-32:linux-gnu-real64-32:linux-gnu-complex128-32:linux-gnu-real64-64:linux-gnu-complex128-64 pip -v install --no-cache-dir --no-build-isolation . && \
    # Cleanup
    apt-get -y purge bison flex && \
    apt-get -y autoremove && \
    apt-get clean && \
    rm -rf \
    ${PETSC_DIR}/**/tests/ \
    ${PETSC_DIR}/**/obj/ \
    ${PETSC_DIR}/**/externalpackages/  \
    ${PETSC_DIR}/CTAGS \
    ${PETSC_DIR}/RDict.log \
    ${PETSC_DIR}/TAGS \
    ${PETSC_DIR}/docs/ \
    ${PETSC_DIR}/share/ \
    ${PETSC_DIR}/src/ \
    ${PETSC_DIR}/systems/ \
    rm -rf /var/lib/apt/lists/* /tmp/* /var/tmp/*

# Install SLEPc
RUN git clone --depth=1 -b v${SLEPC_VERSION} https://gitlab.com/slepc/slepc.git ${SLEPC_DIR} && \
    cd ${SLEPC_DIR} && \
    export PETSC_ARCH=linux-gnu-real32-32 && \
    ./configure && \
    make && \
    export PETSC_ARCH=linux-gnu-complex64-32 && \
    ./configure && \
    make && \
    export PETSC_ARCH=linux-gnu-real64-32 && \
    ./configure && \
    make && \
    export PETSC_ARCH=linux-gnu-complex128-32 && \
    ./configure && \
    make && \
    export PETSC_ARCH=linux-gnu-real64-64 && \
    ./configure && \
    make && \
    export PETSC_ARCH=linux-gnu-complex128-64 && \
    ./configure && \
    make && \
    # Install slepc4py
    cd src/binding/slepc4py && \
    PETSC_ARCH=linux-gnu-real32-32:linux-gnu-complex64-32:linux-gnu-real64-32:linux-gnu-complex128-32:linux-gnu-real64-64:linux-gnu-complex128-64 pip -v install --no-cache-dir --no-build-isolation . && \
    rm -rf ${SLEPC_DIR}/CTAGS ${SLEPC_DIR}/TAGS ${SLEPC_DIR}/docs ${SLEPC_DIR}/src/ ${SLEPC_DIR}/**/obj/ ${SLEPC_DIR}/**/test/ && \
    rm -rf /tmp/*

WORKDIR /root