diff --git a/docker/Dockerfile b/docker/Dockerfile index ad666e645aa3bec58c14fa0b69c3b26d0fa99d75..1f37c79432e8d8b329a523500c837ae93bacf7a8 100644 --- a/docker/Dockerfile +++ b/docker/Dockerfile @@ -16,7 +16,7 @@ ARG CUDA=12.2.2 FROM nvidia/cuda:${CUDA}-cudnn8-runtime-ubuntu20.04 # FROM directive resets ARGS, so we specify again (the value is retained if # previously set). -ARG CUDA +ARG CUDA=12.2.2 # Use bash to support string substitution. SHELL ["/bin/bash", "-o", "pipefail", "-c"] @@ -55,7 +55,7 @@ RUN wget -q -P /tmp \ ENV PATH="/opt/conda/bin:$PATH" ENV LD_LIBRARY_PATH="/opt/conda/lib:$LD_LIBRARY_PATH" RUN conda install -qy conda==24.1.2 pip python=3.11 \ - && conda install -y -c nvidia cuda=${CUDA_VERSION} \ + && conda install -y -c nvidia/label/cuda-12.2.2 cuda=${CUDA_VERSION} \ && conda install -y -c conda-forge openmm=8.0.0 pdbfixer \ && conda clean --all --force-pkgs-dirs --yes