keceli/container_nwchem:2.1.0

$ singularity pull shub://keceli/container_nwchem: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


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Metrics

key value
id /containers/keceli-container_nwchem-2.1.0
collection name keceli/container_nwchem
branch master
tag 2.1.0
commit 6732fe1f39ba668eef8178983872e55a6eaf6981
version (container hash) 01d79baaf9bbe4832fc46017f6a3e9f9
build date 2018-10-03T03:26:38.340Z
size (MB) 622
size (bytes) 184213535
SIF Download URL (please use pull with shub://)
Datalad URL View on Datalad
Singularity Recipe Singularity Recipe on Datalad
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