>From my point of view, the only required changes before the next release are those that break the API or change behaviour as they can't be done thereafter. With this in mind, I'm going to send in a few pull requests for changes which I think would be good tidy ups (e.g. functions marked as deprecated since before I joined, or ensuring that all of the flags have the same getters/setters, or figuring out what to get about a GetValence() function that doesn't return the valence). These will individually be small changes, and some may be rejected, but it's now or never.
Regards, - Noel On Fri, 8 Mar 2019 at 02:01, Geoffrey Hutchison <geoff.hutchi...@gmail.com> wrote: > > I have a bit more free time now. Let's work towards a release. > > First off, Noel deserves a lot of thanks for pushing a lot of changes for > 3.0 and keeping things going. > > In other words, let's get a list of any remaining critical bugs 🐛 and > push towards a defined release date for 3.0? > (Speaking of which, if anyone is at ACS Orlando, I'd be happy to see about > meeting.) > > I can see a few pull requests that we should push through and/or discuss: > - IsElement implemention, make OBElements::Element enum > https://github.com/openbabel/openbabel/pull/1754 > - WriteString / WriteFile changes > https://github.com/openbabel/openbabel/pull/1923 > - Refactor Python https://github.com/openbabel/openbabel/pull/1946 > > Optional but nice; > - Periodic boundary conditions (e.g., for UFF) > https://github.com/openbabel/openbabel/pull/1853 > - Coulomb integrals (e.g., for QEq and other charges) > https://github.com/openbabel/openbabel/pull/1859 > > What about bug reports? > -Geoff
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