jfroula/pactolus repository overview

FROM continuumio/miniconda2

RUN conda install -y -c anaconda pandas==0.24.2
RUN conda install -y -c anaconda configparser==3.7.4
RUN conda install -y -c bioconda pymzml==0.7.8
RUN conda install -y -c anaconda pytables==3.4.2
RUN conda install -y -c conda-forge matplotlib-venn==0.11.5
RUN conda install -y scipy==1.0.0
RUN conda install -y -c anaconda pyqt==5.9.2
RUN apt-get update && \
    apt install -y libgl1-mesa-glx libxrender-dev

RUN conda install -y -c anaconda h5py==2.7.0
RUN conda install -y -c rdkit rdkit==2018.09.3.0

COPY pactolus /root/pactolus
ENV PYTHONPATH /root:$PYTHONPATH
ENV PATH /root/pactolus:$PATH
ENV HDF5_USE_FILE_LOCKING FALSE