diff --git a/cpu.Dockerfile b/cpu.Dockerfile new file mode 100644 index 00000000..525cdf86 --- /dev/null +++ b/cpu.Dockerfile @@ -0,0 +1,29 @@ +FROM ubuntu:focal + +# installing packages required for installation +RUN echo "downloading basic packages for installation" +RUN apt-get update +RUN apt-get install -y tmux wget curl git +RUN apt-get install -y libstdc++6 gcc + +RUN gcc --version + +# install conda +RUN wget -q -P . https://repo.anaconda.com/miniconda/Miniconda3-latest-Linux-x86_64.sh +RUN bash ./Miniconda3-latest-Linux-x86_64.sh -b -p /conda +RUN rm Miniconda3-latest-Linux-x86_64.sh +RUN . "/conda/etc/profile.d/conda.sh" +ENV PATH="/conda/condabin:${PATH}" + +RUN mkdir lab-equibind +COPY environment_cpuonly.yml /lab-equibind/. +RUN conda env create -f lab-equibind/environment_cpuonly.yml + +# Switch to the new environment: +SHELL ["conda", "run", "-n", "equibind", "/bin/bash", "-c"] +RUN conda update -n base conda -y +COPY . /lab-equibind/. +WORKDIR /lab-equibind + +CMD ["conda", "activate", "equibind-conda"] +