FROM python:3.10

USER root
RUN apt-get update -y
RUN apt install -y git-all 
RUN apt-get install -y dssp

RUN useradd -m -u 1000 user
USER user
ENV PATH="/home/user/.local/bin:$PATH"

WORKDIR /app
COPY --chown=user . /app

RUN pip3 install --upgrade pip
RUN pip3 install git+https://github.com/a-r-j/graphein.git
RUN pip3 install numpy scipy torch==2.2 transformers==4.44.2
RUN pip3 install torch-geometric
RUN pip3 install pyg_lib torch_scatter torch_sparse torch_cluster torch_spline_conv -f https://data.pyg.org/whl/torch-2.2.0+cpu.html
RUN pip3 install gradio==5.0.1
RUN pip3 install spaces

CMD ["ls"]
CMD ["python", "app.py"]
# CMD ["uvicorn", "app:demo", "--host", "0.0.0.0", "--port", "7860"]