keceli/container_nwchem:mpich
$ singularity pull shub://keceli/container_nwchem:mpich
Singularity Recipe
Bootstrap: docker
From: centos
%setup
echo ${SINGULARITY_ROOTFS}
mkdir ${SINGULARITY_ROOTFS}/container
%post
yum update -y
yum groupinstall -y "Development Tools"
yum install -y gcc
yum install -y gcc-c++
yum install -y wget
yum install -y git
yum install -y ca-certificates
wget http://www.mpich.org/static/downloads/3.2.1/mpich-3.2.1.tar.gz
tar xf mpich-3.2.1.tar.gz
rm -f mpich-3.2.1.tar.gz
cd mpich-3.2.1
./configure --prefix=$PWD/install --disable-wrapper-rpath
make -j 4 install
export PATH=$PATH:$PWD/install/bin
export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:$PWD/install/lib
cd /container
git clone https://github.com/LLNL/mpiBench
cd mpiBench
mpicc -o mpibench -fPIC mpiBench.c
%runscript
/container/mpiBench/mpibench
Collection
- Name: keceli/container_nwchem
- License: None
View on Datalad
Metrics
key | value |
---|---|
id | /containers/keceli-container_nwchem-mpich |
collection name | keceli/container_nwchem |
branch | master |
tag | mpich |
commit | 48bb3daf97693115b06509635ba94ee874293120 |
version (container hash) | df5c12c1ac425da477071c06657f1478 |
build date | 2018-10-03T03:26:38.352Z |
size (MB) | 798 |
size (bytes) | 224067615 |
SIF | Download URL (please use pull with shub://) |
Datalad URL | View on Datalad |
Singularity Recipe | Singularity Recipe on Datalad |
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