Absolutely. That'd be great. I'll make a new repo for all distribution (and maintenance) related scripts/recipes (if there isn't already one) so that we have them all in one place.
On Fri, 6 Sep 2019 at 14:53, Patrick Lorton <klor...@gmail.com> wrote: > Hi Noel - I'd be happy to put together some Docker recipes for the most > important platforms and all their versions OpenBabel is supposed to > support. If that's done then anyone with docker installed on their machine > could just run single commands to confirm that OpenBabel builds and tests > pass on each platform with the appropriate dependencies. Does that sound > like something you'd be interested in? > > As an example, I have a recipe here for RDKit+GPUSim on Ubuntu with Cuda > drivers: > https://github.com/schrodinger/gpusimilarity/blob/master/docker/Dockerfile > > That pulls down RDKit and builds it on Ubuntu - in this case to be used > with GPUSim, but you can see it'd be trivial to just run the tests at the > end. This is how I guarantee my changes on GPUSim are working on Ubuntu > (the most popular platform for it) even when I do all my dev on Arch. > > Pat > > On Fri, Sep 6, 2019 at 9:27 AM Noel O'Boyle <baoille...@gmail.com> wrote: > >> Hi all, >> >> Geoff asked me to bring up the discussion of a release schedule for OB >> 3.0. It's been so long since the last release, that it's become painful for >> us to do a release, which is a bit of a vicious cycle as you can imagine. >> So.... >> >> I have some time to do this now (with help I hope!) so I'm going to >> randomly suggest that every Friday until finished, we do a release. Every >> Monday morning, I'll bump the version and tag that git revision, and >> between then and end of Friday we'll try and get all parts of the release >> done. >> >> So next Friday we do a release - it might be 3.0a, and the release notes >> out of date, Python 2 unsupported and conda only working on Linux. And the >> following Friday - it might be 3.0a2, but most parts of the release have >> been automated and updated. And so on, until we have 3.0 - the goal is the >> last Friday of September. >> >> The reason we need to do this is that we need to start oiling our release >> procedures, and get things automated (as much as possible). Get release >> scripts together - check them in somewhere - and make it so that creating a >> release is not painful. Frequent releases are a great spur to doing this >> even if only alpha releases. >> >> With this in mind, I'm going to suggest that we feature freeze and focus >> on release blockers. We shouldn't be dogmatic (e.g. I note that I have >> already agreed to review/merge David Koes mega PR) but we should try to >> avoid making the documentation out-of-date during the release procedure. If >> everything gets super automated, it will not be difficult to do another >> point release in 3 or 6 months so no-one should panic that their work will >> have to wait for another 3 years. >> >> So if people want to help we will need testers for the conda packages, >> the snap packages, the Python binaries, etc., etc. Does it build on Ubuntu? >> Does it build on Arch? Help updating the documentation would be much >> appreciated - you can do this directly on the github repo. If you want to >> help but don't know how/where, just email the list - there are many things >> that we would do if we had more time, so don't hold back. >> >> Geoff - does this sound reasonable? I can send to openbabel-discuss also >> if it's okay. >> >> Regards, >> Noel >> _______________________________________________ >> OpenBabel-Devel mailing list >> OpenBabel-Devel@lists.sourceforge.net >> https://lists.sourceforge.net/lists/listinfo/openbabel-devel >> >
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