Release 1.1.0#885
Conversation
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Now let's see if Autorelease is working -- mainly, if I correctly encrypted my passwords! Note to those reading this (since a bunch of you just notified on the @-mention). The top post will be the release notes for OPS 1.1. They're written under the assumption you're reading them in a couple days. OPS isn't on PyPI or conda-forge yet, but will be soon! (I hope...) I'll put out a tweet on the |
maybe that will fix the missing stage?
Autorelease doesn't override before_script; will need to do that!
restarting build doesn't rebuild the configs
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Aha... secure env variables aren't allowed in pull requests from forks. https://docs.travis-ci.com/user/pull-requests/#pull-requests-and-security-restrictions Makes sense; I'd rather that a random person not be able to just make a PR that adds the line Secure env vars are allowed in PRs that don't come from a fork. All the projects I've used Autorelease with so far are in the dwhswenson GitHub account. I think the solution is to close this PR, push the commits to a branch openpathsampling/release-1.1.0 (instead of dwhswenson/release-1.1.0), and open a PR from that branch. |
The marquee feature in OPS 1.1 is the addition of GROMACS support. That also introduces the external engine framework, which can be used by other MD engines.
Another important change is that OPS is now pip-installable and can be installed through conda's
conda-forgechannel (starting with 1.1, new versions of OPS will not be in theomniachannel). Also note that many tools that previously were bundled with OPS now are not. In particular, if you want to use any of the following packages, you must install them separately:They're all just a
conda installaway, and as soon as they're in your environment, OPS will interface with them as before.Deprecations: CVs based on MSMBuilder featurizers are deprecated. MSMBuilder can no longer be tested in our standard test setup. We haven't removed support, but we can't recommend using it.
New features
Trajectory.__getattr__(Simplify Trajectory.__getattr__ #879)Bugs fixed
Miscellaneous improvements