Use the new --noh flag in Open Babel 3.0.1 and later

[ghutchis]

Ensures hydrogens are not added automatically.
Fixes #442 (and probably other issues)

Signed-off-by: Geoff Hutchison geoff.hutchison@gmail.com

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[ghutchis]

This will require a bump for openbabel-3-0-1 or at least openbabel/openbabel@4b228ac

OTOH, it will greatly help with several complaints (e.g. Open Babel automatically adding hydrogen atoms).

[cryos]

We will need to get the superbuild updated, I was hoping to look at some reported failure to optimize geometry on macOS - does this work for you @ghutchis with the superbuild?

[ghutchis]

It works with the "system" Open Babel installed from master - we should be tagging that release ASAP.

[ghutchis]

I'm still testing the molecules from Geoff Clark - seem to be different issues - that's not fixed yet.

[ghutchis]

The issue from Geoff Clark is #473 - the files are too big for Avogadro's MDL format code which silently causes problems.

[ghutchis]

@cryos - now that Open Babel 3.1 is merged, we should be able to merge this.