Dockerfile

# Use an official Ubuntu base image
FROM ubuntu:22.04

# Set non-interactive mode for apt
ENV DEBIAN_FRONTEND=noninteractive
ENV PYTHONDONTWRITEBYTECODE=1
ENV PYTHONUNBUFFERED=1

# Install system dependencies
RUN apt-get update && apt-get install -y --no-install-recommends \
    software-properties-common \
    build-essential \
    cmake \
    g++ \
    git \
    wget \
    curl \
    pkg-config \
    python3.10 \
    python3.10-venv \
    python3-pip \
    python3-dev \
    libboost-all-dev \
    libhdf5-dev \
    libpugixml-dev \
    libspdlog-dev \
    libopenmpi-dev \
    libparmetis-dev \
    libscotch-dev \
    && apt-get clean && rm -rf /var/lib/apt/lists/*

# Install PETSc dependencies
RUN apt-get update && apt-get install -y --no-install-recommends \
    libhypre-dev \
    libmumps-dev \
    && apt-get clean && rm -rf /var/lib/apt/lists/*

# Create Python virtual environment
RUN python3.10 -m venv /opt/venv

# Activate virtual environment
ENV PATH="/opt/venv/bin:$PATH"

# Upgrade pip and install Python packages
RUN pip install --upgrade pip

# Install mpi4py and additional Python packages
RUN pip install numpy mpi4py cffi scikit-build-core[pyproject] petsc4py slepc4py

# Clone and build Basix (required by dolfinx)
RUN git clone --branch main https://github.com/FEniCS/basix.git /tmp/basix && \
    mkdir -p /tmp/basix/build && cd /tmp/basix/build && \
    cmake -DCMAKE_INSTALL_PREFIX=/usr/local .. && \
    make -j$(nproc) && make install

# Clone and build UFCx (required by dolfinx)
RUN git clone --branch main https://github.com/FEniCS/ufcx.git /tmp/ufcx && \
    mkdir -p /tmp/ufcx/build && cd /tmp/ufcx/build && \
    cmake -DCMAKE_INSTALL_PREFIX=/usr/local .. && \
    make -j$(nproc) && make install

# Clone and build dolfinx (C++ core and Python bindings)
RUN git clone --branch main https://github.com/FEniCS/dolfinx.git /tmp/dolfinx && \
    mkdir -p /tmp/dolfinx/cpp/build && cd /tmp/dolfinx/cpp/build && \
    cmake -DCMAKE_INSTALL_PREFIX=/usr/local .. && \
    make -j$(nproc) && make install && \
    cd /tmp/dolfinx/python && \
    pip install -r build-requirements.txt && \
    pip install --check-build-dependencies --no-build-isolation .

# Verify dolfinx installation
RUN python -c "import dolfinx; print('dolfinx version:', dolfinx.__version__)"

# Clean up build files
RUN rm -rf /tmp/basix /tmp/ufcx /tmp/dolfinx

# Install Gradio and other Python dependencies
COPY requirements.txt /tmp/requirements.txt
RUN pip install --no-cache-dir -r /tmp/requirements.txt
RUN pip install --no-cache-dir gradio[oauth]==5.9.1 "uvicorn>=0.14.0" spaces matplotlib pandas

# Freeze installed Python packages (optional)
RUN pip freeze > /tmp/freeze.txt

# Set application working directory
WORKDIR /home/user/app

# Copy application files
COPY . /home/user/app

# Expose the Gradio app port
EXPOSE 7860

# Set default command to run the app
CMD ["python", "app.py"]