--tblite ignores solvation (--alpb & --gbsa)

[TimoSommer]

Describe the bug
If I run an xtb calculation with the --tblite flag, it will ignore the --alpb and --gbsa flags. Whatever solvent I input, or if I don't specify it at all, always gives me the same energy out. If the --tblite flag is removed, the energies differ for each solvent, as you would expect.

To Reproduce
Steps to reproduce the behaviour:

1. Input file for testing, but should work always: test.xyz.gz
2. Run "xtb test.xyz --tblite". The final energy that I get is -133.722563075203 Eh
3. Run "rm xtbrestart; xtb test.xyz --tblite --alpb water". The final energy that I get is exactly the same as above.

Expected behaviour
I would expect the energy to differ depending on the solvation model, just as without the --tblite specification.

Additional context
Versions:
MacOs 14.4.1
xtb 6.6.1

[Albkat]

Hello,
as of now, tblite does not have a fully functioning solvation implementation.
I would suggest addressing this in tblite repository.

[TimoSommer]

Thanks for your opinion on this! I would suggest to add an error then if someone specifies --tblite together with a solvent, and also mentioning this in the documentation. This can become a little confusing otherwise if people are not aware of this limitation.

[Albkat]

Yes, that sounds like a good idea.
Thank you.

[TimoSommer]

Cool, thank you!