pescobar/singularity-pymol:latest
$ singularity pull shub://pescobar/singularity-pymol:latest
Singularity Recipe
BootStrap: docker
From: ubuntu:18.04
%runscript
pymol "$@"
%post
export PYMON_VERSION="2.2.0"
# install build dependencies for PyMOL
apt-get update
apt-get -y install build-essential python-dev python-pmw libglew-dev \
freeglut3-dev libpng-dev libfreetype6-dev libxml2-dev \
libmsgpack-dev python-pyqt5.qtopengl libglm-dev curl
apt-get clean
# download pymol code
cd /usr/local/src
curl -sSL -O https://github.com/schrodinger/pymol-open-source/archive/v2.2.0.tar.gz
tar xf v${PYMON_VERSION}.tar.gz
cd pymol-open-source-${PYMON_VERSION}
python setup.py build install
%environment
export LANG=en_US.UTF-8
export LANGUAGE=en_US:en
export LC_ALL=en_US.UTF-8
export XDG_RUNTIME_DIR=""
%apphelp PyMOL
"PyMOL version 2.2.0"
%apprun PyMOL
pymol
Collection
- Name: pescobar/singularity-pymol
- License: None
View on Datalad
Metrics
key | value |
---|---|
id | /containers/pescobar-singularity-pymol-latest |
collection name | pescobar/singularity-pymol |
branch | master |
tag | latest |
commit | 7237b844f1796eafa8d3f03a5d7b5b6a12c93f35 |
version (container hash) | d3307a92d1c0dcd0c9cedb9d924c78f5 |
build date | 2020-12-21T05:14:18.015Z |
size (MB) | 911 |
size (bytes) | 321073183 |
SIF | Download URL (please use pull with shub://) |
Datalad URL | View on Datalad |
Singularity Recipe | Singularity Recipe on Datalad |
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