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spack-psi/README.md
2024-05-16 11:01:56 +02:00

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# The PSI Spack Deployment
## How to use on Merlin7
```bash
source /afs/psi.ch/sys/spack-rhel7/spack/share/spack/setup-env.sh # can be also include in your .bashrc
spack env list
spack env activate -d <package> # e.g ffbidx all for whole software stack
# Install env if local development, else skip
spack install # -v for verbose
spack load <package>
```
## How to use on Merlin6
```bash
source /afs/psi.ch/sys/spack-rhel7/spack/share/spack/setup-env.sh # can be also include in your .bashrc
spack env list
spack env activate -d <package> # e.g ffbidx all for whole software stack
# Install env if local development, else skip
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
cd OPAL/spack
spack repo add .
```
## Install OPAL@version
```bash
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
```