Create Dockerfile

Author: colbyford

Dockerfile

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+FROM pytorch/pytorch:2.2.1-cuda11.8-cudnn8-runtime
+
+LABEL authors="Colby T. Ford <colby@tuple.xyz>"
+
+## Install system requirements
+RUN apt update && \
+    apt-get install -y --reinstall \
+        ca-certificates && \
+    apt install -y \
+        git \
+        wget \
+        libxml2 \
+        libgl-dev \
+        libgl1 \
+        gcc \
+        g++
+
+## Set working directory
+RUN mkdir -p /software/flowdock
+WORKDIR /software/flowdock
+
+## Clone project
+RUN git clone https://github.com/BioinfoMachineLearning/FlowDock /software/flowdock 
+
+## Create conda environment
+RUN conda env create -f environments/flowdock_environment.yaml
+
+## Automatically activate conda environment
+RUN echo "source activate FlowDock" >> /etc/profile.d/conda.sh && \
+    echo "source /opt/conda/etc/profile.d/conda.sh" >> ~/.bashrc && \
+    echo "conda activate FlowDock" >> ~/.bashrc
+
+
+# conda activate FlowDock  # NOTE: one still needs to use `conda` to (de)activate environments
+# pip3 install -e . # install local project as package
+
+
+## Default shell and command
+SHELL ["/bin/bash", "-l", "-c"]
+CMD ["/bin/bash"]