diff --git a/workflow/docker/pulldown.dockerfile b/workflow/docker/pulldown.dockerfile index 1630ad6..6269229 100644 --- a/workflow/docker/pulldown.dockerfile +++ b/workflow/docker/pulldown.dockerfile @@ -14,8 +14,8 @@ # Extended by Valentin Maurer -ARG CUDA=11.6.1 -FROM nvidia/cuda:11.6.1-cudnn8-runtime-ubuntu20.04 +ARG CUDA=11.8.0 +FROM nvidia/cuda:${CUDA}-cudnn8-runtime-ubuntu22.04 ARG CUDA SHELL ["/bin/bash", "-o", "pipefail", "-c"] @@ -62,6 +62,8 @@ RUN conda install -y -c conda-forge -c bioconda \ python=3.10 \ && conda clean --all --force-pkgs-dirs --yes +RUN conda install -y -c nvidia cuda-nvcc + COPY . /app/alphafold RUN wget -q -P /app/alphafold/alphafold/common/ \ https://git.scicore.unibas.ch/schwede/openstructure/-/raw/7102c63615b64735c4941278d92b554ec94415f8/modules/mol/alg/src/stereo_chemical_props.txt