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APPTAINERENV [ci skip]

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edoapra 2022-12-09 10:34:19 -08:00
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contrib/git.nwchem/github_actions_tahoma.txt
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@ -36,6 +36,9 @@ jobs:
SINGULARITYENV_NWCHEM_BASIS_LIBRARY: /cluster/apps/nwchem/nwchem/src/basis/libraries/
SINGULARITYENV_SCRATCH_DIR: /big_scratch
SINGULARITYENV_UCX_LOG_LEVEL: DIAG
APPTAINERENV_NWCHEM_BASIS_LIBRARY: /cluster/apps/nwchem/nwchem/src/basis/libraries/
APPTAINERENV_SCRATCH_DIR: /big_scratch
APPTAINERENV_UCX_LOG_LEVEL: DIAG
MPIRUN_NPOPT: -n
NWCHEM_EXECUTABLE: "singularity exec /big_scratch/nwchems.img nwchem "
steps: