Release 1.1.0 - #886
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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
Travis will always build PRs. This way we only build here on branches where we don't directly add commits (plus special deployment testing branches)
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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