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FROM continuumio/miniconda3:4.10.3 | ||
FROM ubuntu:22.04 | ||
MAINTAINER Mingxun Wang "[email protected]" | ||
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RUN apt-get update && apt-get install -y build-essential libarchive-dev | ||
RUN apt-get update && apt-get install -y build-essential libarchive-dev wget vim | ||
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# installing mamba | ||
RUN conda install -c conda-forge mamba | ||
# Install Mamba | ||
ENV CONDA_DIR /opt/conda | ||
RUN wget https://github.com/conda-forge/miniforge/releases/latest/download/Miniforge3-Linux-x86_64.sh -O ~/miniforge.sh && /bin/bash ~/miniforge.sh -b -p /opt/conda | ||
ENV PATH=$CONDA_DIR/bin:$PATH | ||
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# Adding to bashrc | ||
RUN echo "export PATH=$CONDA_DIR:$PATH" >> ~/.bashrc | ||
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RUN mamba create -n rdkit -c rdkit rdkit=2019.09.3.0 | ||
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