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
- Name: amrabdelaziem/lammps
- License: None
View on Datalad
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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