Dockerfile

FROM continuumio/miniconda3

RUN useradd -m -u 1000 user
WORKDIR /usr/src/app

COPY --link --chown=1000 ./ /usr/src/app
COPY . .

# install dependcies
# FROM continuumio/miniconda3:4.10.3
# RUN conda install -y python=3.9 pandas numpy scikit-learn
# RUN conda install -y python=3.9
# RUN pip install --upgrade setuptools
# RUN pip install --no-cache-dir -r requirements.txt

# Create Conda environment from env.yaml
RUN conda env create -f env.yml
# RUN conda run -n dockformer-venv pip install git+https://github.com/NVIDIA/dllogger.git gradio gradio_molecule3d gradio_client httpx --no-deps
# SHELL ["conda", "run", "-n", "dockformer-venv", "/bin/bash", "-c"]



#if you need to download executable and run them switch to the default non-root user
USER user

#do not modify below
EXPOSE 7860
ENV GRADIO_SERVER_NAME="0.0.0.0"

# CMD ["python", "inference_app.py"]
CMD ["conda", "run", "-n", "dockformer-venv", "python", "inference_app.py"]