verysure/mlstack-rdkit:latest

$ singularity pull shub://verysure/mlstack-rdkit:latest

Singularity Recipe

BootStrap: docker
From: ubuntu:bionic

%labels
    MAINTAINER verysure

%files
    env.yml /


%post
    apt-get -qq update --fix-missing 
    apt-get install -yq wget tar gzip bzip2 libxrender-dev libxext-dev

    # install conda
    wget --quiet https://repo.continuum.io/miniconda/Miniconda3-4.4.10-Linux-x86_64.sh -O /tmp/miniconda.sh
    bash /tmp/miniconda.sh -b -p /opt/conda
    rm /tmp/miniconda.sh

    # install packages in conda
    . /opt/conda/etc/profile.d/conda.sh
    /opt/conda/bin/conda config --set auto_update_conda False
    /opt/conda/bin/conda env update -n base --file=/env.yml

    # clean up
    conda clean -y -a
    apt-get clean -yq

%environment
export PATH=/opt/conda/bin:$PATH

Collection


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Metrics

key value
id /containers/verysure-mlstack-rdkit-latest
collection name verysure/mlstack-rdkit
branch master
tag latest
commit d5c9814036ecff9f6556636ae3b459a86ffe32e3
version (container hash) 7587f39d7615d8e8fe438ad0361856a9
build date 2020-12-16T00:45:05.573Z
size (MB) 5149.0
size (bytes) 2478391327
SIF Download URL (please use pull with shub://)
Datalad URL View on Datalad
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