Dockerfile

# read the doc: https://huggingface.co/docs/hub/spaces-sdks-docker
# you will also find guides on how best to write your Dockerfile

FROM continuumio/anaconda3:2024.02-1

WORKDIR /code

COPY ./requirements.txt /code/requirements.txt

RUN apt-get update

RUN apt-get install gcc -y

RUN pip install -r /code/requirements.txt

RUN conda install pytorch::faiss-gpu --yes

# Download foldseek
RUN wget 'https://drive.usercontent.google.com/download?id=1B_9t3n_nlj8Y3Kpc_mMjtMdY0OPYa7Re&export=download&authuser=0' -O /tmp/foldseek
RUN chmod +x /tmp/foldseek

# Download TMalign
RUN wget 'https://drive.google.com/file/d/1waxLyL2MLCxyHyIlQe7zkeHy8lzuDThu/view?usp=sharing' -O /tmp/TMalign
RUN chmod +x /tmp/TMalign

# Download ProTrek model
RUN huggingface-cli download westlake-repl/ProTrek_650M_UniRef50 --repo-type model --local-dir /data/ProTrek_650M_UniRef50

# Download ProTrek faiss index
RUN huggingface-cli download westlake-repl/ProTrek-faiss-index  --repo-type dataset  --local-dir /data/ProTrek-faiss-index --include "ProTrek_650M_UniRef50/Swiss-Prot/*"

# Set up a new user named "user" with user ID 1000
RUN useradd -m -u 1000 user

# Set home to the user's home directory
ENV HOME=/home/user \
    PYTHONPATH=$HOME/app \
    PYTHONUNBUFFERED=1 \
    GRADIO_ALLOW_FLAGGING=never \
    GRADIO_NUM_PORTS=1 \
    GRADIO_SERVER_NAME=0.0.0.0 \
    GRADIO_THEME=huggingface \
    SYSTEM=spaces

# Set the working directory to the user's home directory
WORKDIR $HOME/app

# Copy the current directory contents into the container at $HOME/app setting the owner to the user
COPY --chown=user . $HOME/app

#COPY . .

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