diff --git a/dockerfiles/rosettafold_all_atom.def b/dockerfiles/rosettafold_all_atom.def index f22775c..b51c865 100644 --- a/dockerfiles/rosettafold_all_atom.def +++ b/dockerfiles/rosettafold_all_atom.def @@ -1,22 +1,21 @@ Bootstrap: docker -From: nvidia/cuda:12.6.0-cudnn-devel-ubuntu24.04 +From: nvidia/cuda:12.4.1-cudnn-runtime-ubuntu22.04 %labels Author j.caley@unsw.edu.au - Version 0.2.3 + Version 0.2.5 %post - apt update && DEBIAN_FRONTEND=noninteractive apt install --no-install-recommends -y wget git + apt update && DEBIAN_FRONTEND=noninteractive apt install --no-install-recommends -y wget git build-essential - wget "https://github.com/conda-forge/miniforge/releases/latest/download/Miniforge3-Linux-x86_64.sh" + wget https://github.com/conda-forge/miniforge/releases/latest/download/Miniforge3-Linux-x86_64.sh bash Miniforge3-Linux-x86_64.sh -b -p /opt/miniforge rm Miniforge3-Linux-x86_64.sh export PATH="/opt/miniforge/bin:$PATH" - mamba init git clone --single-branch --depth 1 https://github.com/Australian-Structural-Biology-Computing/RoseTTAFold-All-Atom.git /app/RoseTTAFold-All-Atom cd /app/RoseTTAFold-All-Atom - mamba env create -f environment.yaml + mamba env create --file=environment.yaml mamba run -n RFAA \ 'python rf2aa/SE3Transformer/setup.py install && \ @@ -29,10 +28,9 @@ From: nvidia/cuda:12.6.0-cudnn-devel-ubuntu24.04 rm -r blast-2.2.26 mv blast-2.2.26_bk/ blast-2.2.26 - apt autoremove -y && apt remove --purge -y wget git && apt clean -y + apt autoremove -y && apt remove --purge -y wget git build-essential && apt clean -y rm -rf /var/lib/apt/lists/* /root/.cache *.tar.gz mamba clean --all --force-pkgs-dirs -y - chmod 755 input_prep/make_ss.sh %environment export PYTHONPATH="/app/RoseTTAFold-All-Atom:$PYTHONPATH"