Support for ORCA 6

[addman2]

What will be the future of this package, will there be some support for ORCA 6?

[danielhollas]

Hey @addman2 👋

I am definitely interested in having ORCA 6 support. But I am not sure when I could spent some time on it since I am no longer working full time on the project that uses this plugin.

Would you be interested in helping out?

FWIW support for ORCA 6 would ideally come through the cclib parser that we use internally. Last time I checked they did not support ORCA 6 yet, but maybe that has changed.

[addman2]

Hey @danielhollas ,

Same here, I’m in a similar spot. I don’t have a lot of time to upgrade the package for ORCA 6 right now. From what I can tell, cclib still doesn’t support ORCA 6.0. As a stopgap, I tweaked the existing package to work with my ORCA 6 outputs.

That said, I’m happy to contribute where I can, based on my time schedule. However, I am not a super experienced ORCA user, but I’m keen to help.

[danielhollas]

Thanks! Feel free to make a pull request with your changes, I am happy to review and test those and we can decide if it makes sense to merge them and release as a temporary solution.