Commit 6d6df831 authored by jspiegel's avatar jspiegel

fix rdkit version docker; prevents version errors

parent a8e9a570
......@@ -22,7 +22,7 @@ RUN echo "alias python=/root/miniconda3/bin/python" >> /root/.bashrc
# Get python dependencies
RUN /root/miniconda3/bin/conda install -y -c conda-forge rdkit
RUN /root/miniconda3/bin/conda install -y -c conda-forge rdkit rdkit="2019.03.4"
RUN /root/miniconda3/bin/conda install -y numpy
RUN /root/miniconda3/bin/conda install -y scipy
RUN /root/miniconda3/bin/pip install matplotlib
......
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