Ryan Richard
Ryan Richard
@peanutfun :wave: That all sounds great. I look forward to working with you and thanks for agreeing to review this manuscript!
@peanutfun and @robertodr First off, thank you both for the excellent suggestions and taking the time to review this. I added both of you to the acknowledgements section of the...
TL;DR the tests I think you are proposing are usually done by the consumer, not the provider. Slightly longer answer. Assuming GauXC never rewrites git history, then consumers' build systems...
@wavefunction91 gotcha. If I were you I'd bite the bullet and write the integration tests for each of the interfaces you personally maintain in the respective downstream packages (assuming you...
FTR, I volunteer @jwaldrop to maintain the integration test on the NWChemEx side.
We're trying to interface NWChemEx to QCEngine. We have an NWChemEx basis set object, and we want QCEngine to call the underlying software with those parameters. When I opened the...