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Add automated testing for foyer tutorial notebooks #6

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justinGilmer
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Previously, when breaking API changes occurred to the MoSDeF tools, a lot
of our notebooks would break silently.

Without automated testing, this can be quite difficult to keep track of,
and it is not uncommon for these notebooks to quickly fall out of sync
with the current updates.
This PR introduces a GitHub Action to create a conda environment, and
use the pytest plugin nbval to run tests on each notebook. This will
occur daily, for pushes and pull requests.

Previously, when breaking API changes occured to the MoSDeF tools, a lot
of our notebooks would break silently.

Without automated testing, this can be quite difficult to keep track of,
and it is not uncommon for these notebooks to quickly fall out of sync
with the current updates.
This PR introduces a GitHub Action to create a conda environment, and
use the pytest plugin `nbval` to run tests on each notebook. This will
occur daily, for pushes and pull requests.
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@jennyfothergill jennyfothergill left a comment

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Do we need the sanitize hook if we are running nbval-lax? (I think the lax option doesn't compare the outputs and only fails on error.)

@jennyfothergill
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Also, maybe we should pin some versions in our environments.

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2 participants