keceli/container_nwchem:ompi_2.1.0

$ singularity pull shub://keceli/container_nwchem:ompi_2.1.0

Singularity Recipe

From: ubuntu:latest
Bootstrap: docker

%post
echo "************************************************************"
echo "Installling essential components"
echo "************************************************************" 
	apt-get -y update
	apt-get -y install make build-essential zlib1g-dev libncurses5-dev wget git
echo "************************************************************"
echo "Installling openmpi 2.1.0"
echo "************************************************************"    
	cd /usr/local/src 
	wget https://www.open-mpi.org/software/ompi/v2.1/downloads/openmpi-2.1.0.tar.bz2
	tar -xjf openmpi-2.1.0.tar.bz2
	cd openmpi-2.1.0  
	./configure --prefix=/usr/local
	make -j 16
	make install
	ldconfig
echo "************************************************************"
echo "Installling mpiBench from https://github.com/LLNL/mpiBench"
echo "************************************************************"
	cd /usr/local/src
	git clone https://github.com/LLNL/mpiBench
	cd mpiBench
	make
	
%runscript
	exec /usr/local/src/mpiBench/mpiBench

Collection

• Name: keceli/container_nwchem
• License: None

Metrics

Feedback

Was this page helpful?

Glad to hear it! Please tell us how we can improve.

Sorry to hear that. Please tell us how we can improve.