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Use Pixi to manage examples#2190

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mattwthompson wants to merge 5 commits into
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pixi-examples
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Use Pixi to manage examples#2190
mattwthompson wants to merge 5 commits into
mainfrom
pixi-examples

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@mattwthompson
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By its nature, this circumvents #2189 by using a lockfile.

This runs locally for me (pixi run -e examples-ambertools run_notebooks && pixi run -e examples-openeye run_notebooks)

I double-checked that AmberTools is not found in the OpenEye environment

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Refactor to use one examples environment

Drop `openmmforcefields`

Typo?

Use AshGC in conformer energies script as well

Skip Amber example for now

Use Pixi to manage examples

Revert "Skip Amber example for now"

This reverts commit 63340d7.

Add `pyedr`

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@mattwthompson mattwthompson marked this pull request as ready for review June 1, 2026 22:03
@mattwthompson mattwthompson requested a review from j-wags as a code owner June 1, 2026 22:03
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