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# The PSI Spack Deployment # The PSI Spack Deployment
## How to use on Merlin7 ## How to use on Merlin7
### Install your own software
```bash ```bash
source /afs/psi.ch/sys/spack-rhel7/spack/share/spack/setup-env.sh # can be also include in your .bashrc # Check if your package is already in Spack
user@login001:~> spack list $pkg_name # e.g opal
spack env list # Check the package variants you want to set e.g +cuda +openmp ^openmpi ...
spack env activate -d <package> # e.g ffbidx all for whole software stack user@login001:~> spack info $pkg_name # e.g opal
# Install env if local development, else skip # Check the whole dependency tree of your spec and
spack install # -v for verbose # if you don't need to set more variants
user@login001:~> spack spec $pkg_name@version +variant1 ^dep1@version ...
spack load <package> # e.g spack spec opal@2022.1%gcc@7.5.0 +mithra ~python ^openmpi@4.1.6 ^openblas
# Install your package
user@login001:~> spack install $pkg_name@version +variant1 ^dep1@version1
# Load your package
user@login001:~> spack load $pkg_name@version +variant1 ^dep1@version1
# Submit your script
user@login001:~> sbatch batch.script
``` ```
## How to use on Merlin6 ### Develop your own software
```bash
# Check if your package is already in Spack
user@login001:~> spack list $pkg_name # e.g opal
# Check the package variants you want to set e.g +cuda +openmp ^openmpi ...
user@login001:~> spack info $pkg_name # e.g opal
# Create your own env and load it
user@login001:~> spack env activate --create -p myenv
# Add the spec you want to build to your environement
user@login001:~> spack add $pkg_name@version +variant1 ^dep1@version ...
# e.g spack add opal@master%gcc@7.5.0 +mithra ~python ^openmpi@4.1.6 ^openblas
# Tell Spack you want to develop locally under
# /afs/psi.ch/sys/spack.x86_64_cos3.0/user/$USER/spack-environment/$pkg_name
user@login001:~> spack develop $pkg_name@version
# Install the package locally
user@login001:~> spack install # first time, then you can just use make directly
# Load your package
user@login001:~> spack load $pkg_name@version +variant1 ^dep1@version1
# Submit your script
user@login001:~> sbatch batch.script
```
## How to use on other systems
### Install Spack
```bash ```bash
source /afs/psi.ch/sys/spack-rhel7/spack/share/spack/setup-env.sh # can be also include in your .bashrc user@supersystem:~> cd /scratch/$USER
spack env list user@supersystem:~> git clone -c feature.manyFiles=true https://github.com/spack/spack.git
spack env activate -d <package> # e.g ffbidx all for whole software stack
# Install env if local development, else skip user@supersystem:~> . spack/share/spack/setup-env.sh
spack install # -v for verbose
spack load <package>
# The OPAL Spack recipe
[Official Spack documentation](https://spack.readthedocs.io/en/latest/)
## Install Spack
```bash
cd /scratch/$USER
git clone -c feature.manyFiles=true https://github.com/spack/spack.git
. spack/share/spack/setup-env.sh
# Add PSI specific recipes # Add PSI specific recipes
cd OPAL/spack user@supersystem:~> git clone https://gitlab.psi.ch/lsm-hpce/alps/spack-psi.git
spack repo add .
```
## Install OPAL@version user@supersystem:~> spack repo add $PWD/spack-psi
```bash user@supersystem:~> spack install $pkg_name # -v for verbose
spack info opal # Find out which version and which variants you want to set
# Install env if local development, else skip
spack install opal@2022.1.0 # -v for verbose -j 8 for 8 parallel jobs
# Load environment before launching any scripts
spack load opal
sbatch ...
```
## Develop OPAL
```bash
spack env activate -d OPAL/spack/env/opal/
# $OPAL_SRC_DIRECTORY is where you did the git clone git@gitlab.psi.ch:OPAL/src.git
spack develop -p $OPAL_SRC_DIRECTORY opal@master
spack install # -v for verbose -j 8 for 8 parallel jobs
```