OSC/sa_singularity_xcrysden:latest

$ singularity pull shub://OSC/sa_singularity_xcrysden:latest

Singularity Recipe

BootStrap: docker
From: ubuntu:18.04

%labels
    Maintainer zyou@osc.edu
    Recipe https://github.com/OSC/sa_singularity_xcrysden

%help

    Container with pre-built XCrysDen for Ubuntu 18.04

%environment
    export PATH=$PATH:/usr/local/xcrysden/1.6.2

%post
    apt update
    apt upgrade -y
    DEBIAN_FRONTEND=noninteractive apt install -y \
	wget tk libglu1-mesa libtogl2 libfftw3-3 libxmu6 imagemagick openbabel libgfortran5
    wget http://www.xcrysden.org/download/xcrysden-1.6.2-linux_x86_64-shared.tar.gz 
    mkdir -p /usr/local/xcrysden/1.6.2
    tar xf xcrysden-1.6.2-linux_x86_64-shared.tar.gz -C /usr/local/xcrysden/1.6.2 --strip=1
    rm -f xcrysden-1.6.2-linux_x86_64-shared.tar.gz 
    apt autoclean
    apt autoremove --purge -y
    rm -rf /var/lib/apt/lists/*

%runscript
    exec xcrysden "$@"

Collection


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Metrics

key value
id /containers/OSC-sa_singularity_xcrysden-latest
collection name OSC/sa_singularity_xcrysden
branch master
tag latest
commit ac6503e6d9369521e36e72afc99c3743391450a1
version (container hash) 90664932264aea943741ba70dff86742
build date 2021-03-17T20:18:27.192Z
size (MB) 352.0
size (bytes) 126644255
SIF Download URL (please use pull with shub://)
Datalad URL View on Datalad
Singularity Recipe Singularity Recipe on Datalad
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