amrabdelaziem/lammps:latest

$ singularity pull shub://amrabdelaziem/lammps:latest

Singularity Recipe

BootStrap: debootstrap
OSVersion: stable
MirrorURL: http://ftp.us.debian.org/debian/

%setup

cd $SINGULARITY_ROOTFS/opt

wget https://www.open-mpi.org/software/ompi/v3.0/downloads/openmpi-3.0.1.tar.gz

wget http://lammps.sandia.gov/tars/lammps-stable.tar.gz

%environment
export PATH=/usr/local/bin:$PATH
export CPATH=/usr/local/include:$CPATH
export LD_LIBRARY_PATH=/usr/local/lib:$LD_LIBRARY_PATH


%post

apt-get install -y --allow-unauthenticated build-essential

mkdir -p /opt/openmpi

cd /opt/openmpi

tar xf ../openmpi-3.0.1.tar.gz --strip-components 1

./configure --prefix=/usr/local | tee log.configure

make -j |tee log.make

make install | tee log.make_install

mkdir -p /opt/lammps

cd /opt/lammps

tar xf ../lammps-stable.tar.gz --strip-components 1

cd src

make yes-granular | tee log.make_yes_granular

make -j mpi | tee log.make_mpi

%runscript

/opt/lammps/src/lmp_mpi "$@"

Collection


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Metrics

key value
id /containers/amrabdelaziem-lammps-latest
collection name amrabdelaziem/lammps
branch master
tag latest
commit 6cac11a3ad8d8988ece99a631ef260d09f834b09
version (container hash) 0966002ae61108caa601731239f96c39
build date 2019-08-15T15:59:08.114Z
size (MB) 1328
size (bytes) 543535135
SIF Download URL (please use pull with shub://)
Datalad URL View on Datalad
Singularity Recipe Singularity Recipe on Datalad
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