0.10.0 build 1 and examples package

[Yoshanuikabundi]

The openff-toolkit repository has a number of example notebooks that demonstrate its use, and we're about to put a bunch of effort into improving them and adding more. In openforcefield/openff-toolkit#888, I investigated adding tooling to simplify the use of the examples, and we discovered that they were not distributed with the toolkit by Conda. This PR adds a new subpackage, openff-toolkit-examples, that includes the examples themselves as well as depending on the packages required to run them. In the future, this package may also include a helper application to run the examples, but using this packaging method allows us to let Conda manage package management.

Checklist

• Used a personal fork of the feedstock to propose changes
• Re-rendered with the latest conda-smithy (Use the phrase @conda-forge-admin, please rerender in a comment in this PR for automated rerendering)

[conda-forge-linter]

Hi! This is the friendly automated conda-forge-linting service.

I just wanted to let you know that I linted all conda-recipes in your PR (recipe) and found it was in an excellent condition.

I do have some suggestions for making it better though...

For recipe:

• It looks like the 'openff-toolkit-examples' output doesn't have any tests.

[Yoshanuikabundi]

@j-wags I got it working! With this PR, there is a openff-toolkit-examples package that installs the dependencies of the examples, and installs the examples themselves to $CONDA_PREFIX/share/openff-toolkit/examples.

My questions:

• Is that the best path to hold the examples?
• What tests should I add? Is just replicating all the notebook tests from upstream appropriate? I think the point is just to make sure all the dependencies are there and all the files are present but not sure what the best way to accomplish this is, since the aforementioned tests take about 10 minutes.

[j-wags]

To keep things in one place -- Discussion and next steps are in today's meeting notes

[conda-forge-linter]

Hi! This is the friendly automated conda-forge-linting service.

I just wanted to let you know that I linted all conda-recipes in your PR (recipe) and found it was in an excellent condition.

[conda-forge-linter]

Hi! This is the friendly automated conda-forge-linting service.

I was trying to look for recipes to lint for you, but it appears we have a merge conflict.
Please try to merge or rebase with the base branch to resolve this conflict.

Please ping the 'conda-forge/core' team (using the @ notation in a comment) if you believe this is a bug.

[conda-forge-linter]

Hi! This is the friendly automated conda-forge-linting service.

I just wanted to let you know that I linted all conda-recipes in your PR (recipe) and found it was in an excellent condition.

[Yoshanuikabundi]

*Wipes sweat from brow

Added the test checking that the installed file tree matches the source tree. It seems to be working!

[j-wags]

This should let us test from a branch of the toolkit -- We need to make sure to point this back to the release URL before we merge!!

[conda-forge-linter]

Hi! This is the friendly automated conda-forge-linting service.

I was trying to look for recipes to lint for you, but it appears we have a merge conflict.
Please try to merge or rebase with the base branch to resolve this conflict.

Please ping the 'conda-forge/core' team (using the @ notation in a comment) if you believe this is a bug.

[conda-forge-linter]

Hi! This is the friendly automated conda-forge-linting service.

I just wanted to let you know that I linted all conda-recipes in your PR (recipe) and found it was in an excellent condition.

[Yoshanuikabundi]

This is all updated and working with the latest version of the examples helper as of this comment. PR for the helper: openforcefield/openff-toolkit#934

I did notice that the packages all still depend on python >= 3.6. Should we update this to python >= 3.7 while we're here?

[j-wags]

Looks great. Thanks for all the iterating on this @Yoshanuikabundi!

I think we need to merge this BEFORE the next release. As long as we revert the version+build, there shouldn't be any packages built or tests run. I'll give it a shot now :-)

[j-wags]

@conda-forge-admin, please rerender

[j-wags]

@conda-forge-admin, please rerender