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ARG CUDA_VERSION=11.8.0 | ||
ARG COLABFOLD_VERSION=1.5.3 | ||
FROM nvidia/cuda:${CUDA_VERSION}-base-ubuntu22.04 | ||
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RUN apt-get update && apt-get install -y wget cuda-nvcc-$(echo $CUDA_VERSION | cut -d'.' -f1,2 | tr '.' '-') --no-install-recommends --no-install-suggests && rm -rf /var/lib/apt/lists/* && \ | ||
wget -qnc https://github.com/conda-forge/miniforge/releases/latest/download/Mambaforge-Linux-x86_64.sh && \ | ||
bash Mambaforge-Linux-x86_64.sh -bfp /usr/local && \ | ||
mamba config --set auto_update_conda false && \ | ||
rm -f Mambaforge-Linux-x86_64.sh && \ | ||
CONDA_OVERRIDE_CUDA=$(echo $CUDA_VERSION | cut -d'.' -f1,2) mamba create -y -n colabfold -c conda-forge -c bioconda colabfold=$COLABFOLD_VERSION jaxlib==*=cuda* && \ | ||
mamba clean -afy | ||
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ENV PATH /usr/local/envs/colabfold/bin:$PATH | ||
ENV MPLBACKEND Agg | ||
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VOLUME cache | ||
ENV MPLCONFIGDIR /cache | ||
ENV XDG_CACHE_HOME /cache |