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Use workflows to check images with docker run command (tests are required for all images!!!) #6

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Leticia-maria opened this issue Nov 20, 2021 · 3 comments
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documentation Improvements or additions to documentation enhancement New feature or request

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Leticia-maria commented Nov 20, 2021

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
@Leticia-maria Leticia-maria self-assigned this Nov 20, 2021
@Leticia-maria Leticia-maria added documentation Improvements or additions to documentation enhancement New feature or request labels Nov 27, 2021
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Leticia-maria commented Nov 27, 2021

Locate test/ in ORCA (update PATH)

@Leticia-maria Leticia-maria changed the title Use workflows to check images with docker run command (NWChem example) Use workflows to check images with docker run command (tests are required for all images!!!) Nov 27, 2021
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  • After build and push, use docker run to perform a test and check if the calculation passed;

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  • After build and push, use docker run to perform a test and check if the calculation passed;

@Leticia-maria

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