Dockerfile

FROM python:3.10-slim

WORKDIR /app

# Install system dependencies
RUN apt-get update && apt-get install -y \
    wget \
    && rm -rf /var/lib/apt/lists/*

# Install PyTorch CPU version first
RUN pip install --no-cache-dir torch==2.0.1 --index-url https://download.pytorch.org/whl/cpu

# Download and install mxfold2 wheel directly
RUN wget -q https://github.com/mxfold/mxfold2/releases/download/v0.1.2/mxfold2-0.1.2-cp310-cp310-manylinux_2_17_x86_64.whl \
    && pip install --no-cache-dir mxfold2-0.1.2-cp310-cp310-manylinux_2_17_x86_64.whl \
    && rm mxfold2-0.1.2-cp310-cp310-manylinux_2_17_x86_64.whl

# Install Gradio 5.x with compatible huggingface_hub
RUN pip install --no-cache-dir \
    gradio==5.9.1 \
    numpy==1.24.4 \
    tqdm==4.66.5

# Verify mxfold2 installation
RUN which mxfold2 && mxfold2 --help | head -5

# Create non-root user for HF Spaces
RUN useradd -m -u 1000 user

# Copy application
COPY app.py /app/app.py

# Set ownership
RUN chown -R user:user /app

USER user

# Set environment variables
ENV HOME=/home/user \
    PATH=/usr/local/bin:$PATH \
    CUDA_VISIBLE_DEVICES=""

WORKDIR /app

EXPOSE 7860

CMD ["python", "app.py"]