Hi, I took the existing
ORCA-5.0.1-gompi-2021a.eb and changed the version to 5.0.2 and updated the checksums. However the sanity check fails: == 2021-12-09 14:41:39,976 easyblock.py:3915 WARNING build failed (first 300 chars): Sanity check failed: sanity check command $EBROOTORCA/bin/orca /trinity/shared/easybuild/build/ORCA/5.0.2/gompi-2021a/eb_test_hf_water.inp | grep -c 'FI\ NAL SINGLE POINT ENERGY[ ]*-75.95934031' exited with code 1 (output: -------------------------------------------------------------------------- The It looks like the formatting of the output has changed and this is causing the test to fail. I assume the easyblock for ORCA needs fixing, or is there some other solution? Cheers, Loris -- Dr. Loris Bennett (Herr/Mr) ZEDAT, Freie Universität Berlin Email [email protected]
