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nwchemgit / nwchem

NWChem: Open Source High-Performance Computational Chemistry
http://nwchemgit.github.io
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Flang 17 #887

Closed jeffhammond closed 9 months ago

jeffhammond commented 9 months ago

I tried to reproduce your Flang-new changes and found a few more issues related to DERF and LOGNAME. Hopefully I did this right. It runs on my machine using a vanilla configuration.

edoapra commented 9 months ago

@jeffhammond thanks for submitting this. My github action's test was using just NWCHEM_MODULES set equal to nwdft driver solvation. Once we merge this pull request, I will try the full suite of modules.

jeffhammond commented 9 months ago

i was a bit confused about NWXC. it seems like maybe the source is downloaded and patched locally, but i'm not quite sure. i guess we'll figure that out soon enough.

jeffhammond commented 9 months ago

i made some errors in this PR, which probably won't break anything, but will be fixed ASAP