DIAMOND EN

CONTAINERIZED CODES

In this section, you will be able to download Apptainer images for codes available on this website. For scientific computing as well as data visualisation

But to begin with, if you haven’t gone through this step yet and if you’re not familiar with using Apptainer, follow the links below to learn how to install Apptainer and interact with images.

USEFUL LINKS :

AVAILABLE CODES:

And more to be added
Scientific ComputingVisualisation
LAMMPSOvito
Quantum ESPRESSOParaView
AbinitVESTA
Z-setVMD
FreeFEM
OpenCalphad
Neper
PLUMED
Gmsh

Shortcut : choose your code and get the Apptainer command to retrieve it

# PULL
apptainer pull lammps.sif oras://gricad-registry.univ-grenoble-alpes.fr/diamond/apptainer/apptainer-singularity-projects/lammps.sif:latest
# PULL
apptainer pull quantum-espresso.sif oras://gricad-registry.univ-grenoble-alpes.fr/diamond/apptainer/apptainer-singularity-projects/quantum-espresso.sif:latest
# PULL
apptainer pull abinit.sif oras://gricad-registry.univ-grenoble-alpes.fr/diamond/apptainer/apptainer-singularity-projects/abinit.sif:latest
# PULL
apptainer pull z-set.sif oras://gricad-registry.univ-grenoble-alpes.fr/diamond/apptainer/apptainer-singularity-projects/z-set.sif:latest
# PULL
apptainer pull freefemplusplus.sif oras://gricad-registry.univ-grenoble-alpes.fr/diamond/apptainer/apptainer-singularity-projects/freefemplusplus.sif:latest
# PULL
apptainer pull opencalphad.sif oras://gricad-registry.univ-grenoble-alpes.fr/diamond/apptainer/apptainer-singularity-projects/opencalphad.sif:latest
# PULL
apptainer pull neper.sif oras://gricad-registry.univ-grenoble-alpes.fr/diamond/apptainer/apptainer-singularity-projects/neper.sif:latest
# PULL
apptainer pull plumed.sif oras://gricad-registry.univ-grenoble-alpes.fr/diamond/apptainer/apptainer-singularity-projects/plumed.sif:latest
# PULL
apptainer pull gmsh.sif oras://gricad-registry.univ-grenoble-alpes.fr/diamond/apptainer/apptainer-singularity-projects/gmsh.sif:latest
# PULL
apptainer pull ovito.sif oras://gricad-registry.univ-grenoble-alpes.fr/diamond/apptainer/apptainer-singularity-projects/ovito.sif:latest
# PULL
apptainer pull paraview.sif oras://gricad-registry.univ-grenoble-alpes.fr/diamond/apptainer/apptainer-singularity-projects/paraview.sif:latest
# PULL
apptainer pull vesta.sif oras://gricad-registry.univ-grenoble-alpes.fr/diamond/apptainer/apptainer-singularity-projects/vesta.sif:latest
# PULL
apptainer pull vmd.sif oras://gricad-registry.univ-grenoble-alpes.fr/diamond/apptainer/apptainer-singularity-projects/vmd.sif:latest