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
- Name: OSC/sa_singularity_xcrysden
- License: MIT License
View on Datalad
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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