anchor.diff:  # See the License for the specific language governing permissions and
   # limitations under the License.
   
  -FROM gcr.io/deeplearning-platform-release/base-cu110
  +ARG CUDA=11.1.1
  +FROM nvidia/cuda:${CUDA}-cudnn8-runtime-ubuntu18.04
  +# FROM directive resets ARGS, so we specify again (the value is retained if
  +# previously set).
  +ARG CUDA
  +ARG ALPHAFOLD_VERSION=v2.2.1
   
  -ARG CUDA_MAJOR=11
  -ARG CUDA_MINOR=0
  -ARG ALPHAFOLD_VERSION=v2.2.0
   
  +# Use bash to support string substitution.
   SHELL ["/bin/bash", "-c"]
   
  -# Temporary fix to address NVIDIA key rotation till DLVM updates the keys in the base image
  -RUN apt-key del 7fa2af80 \
  -    && apt-key adv --fetch-keys https://developer.download.nvidia.com/compute/cuda/repos/ubuntu2004/x86_64/3bf863cc.pub
  -
  -RUN apt-get update && DEBIAN_FRONTEND=noninteractive apt-get install -y \
  -      build-essential \
  -      cmake \
  -      cuda-command-line-tools-${CUDA_MAJOR}-${CUDA_MINOR} \
  -      git \
  -      hmmer \
  -      kalign \
  -      tzdata \
  -      wget \
  +RUN apt-get update && CUDA_HYPHENS=${CUDA//./-} DEBIAN_FRONTEND=noninteractive \
  +      apt-get install -y \
  +        build-essential \
  +        cmake \
  +        cuda-command-line-tools-$(cut -f1,2 -d- <<< ${CUDA_HYPHENS}) \
  +        git \
  +        hmmer \
  +        kalign \
  +        tzdata \
  +        wget \
       && rm -rf /var/lib/apt/lists/*
   
   # Compile HHsuite from source.
  
positive.code: # Install pip packages.
  RUN pip3 install --upgrade pip \
      && pip3 install -r /app/alphafold/requirements.txt \
      && pip3 install py3Dmol tqdm \
      && pip3 install --upgrade jax==0.2.14 jaxlib==0.1.69+cuda${CUDA_MAJOR}${CUDA_MINOR} -f \
        https://storage.googleapis.com/jax-releases/jax_releases.html
  
  # Apply OpenMM patch.
  WORKDIR /opt/conda/lib/python3.7/site-packages
  RUN patch -p0 < /app/alphafold/docker/openmm.patch
  
  # Install Google vertex components
  #RUN pip3 install -U google-cloud-aiplatform google-cloud-pipeline-components google-cloud-storage
  
  WORKDIR /modules
  ADD src/components/alphafold_utils.py .
  
negative.code:     && popd \
      && rm -rf /tmp/hh-suite
  
  # Install Miniconda package manager.
  RUN wget -q -P /tmp \
    https://repo.anaconda.com/miniconda/Miniconda3-latest-Linux-x86_64.sh \
      && bash /tmp/Miniconda3-latest-Linux-x86_64.sh -b -p /opt/conda \
      && rm /tmp/Miniconda3-latest-Linux-x86_64.sh
  
  # Install conda packages.
  ENV PATH="/opt/conda/bin:$PATH"
  RUN conda update -qy conda \
      && conda install -y -c conda-forge \
  