geem-lab / geem-lab/docker-hpc
Use workflows to check images with docker run command (tests are required for all images!!!)
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Description
```
docker run --rm --platform ${{matrix.archs }} \
-e NWCHEM_EXECUTABLE=/opt/nwchem/bin/nwchem --entrypoint='/opt/nwchem/QA/runtests.mpi.unix' \
-v `pwd`:/opt/nwchem/QA ghcr.io/${{ github.actor }}/${{ matrix.folder }}/${{ steps.get-arch.outputs.arch }} \
dft_he2+ prop_mep_gcube cosmo_h2o_dft pyqa3 ;\
fi
```
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