Cleanup github runner caches on closed pull requests

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- Check for API breaks Check for API breaks
- Cleanup github runner caches on closed pull requests Cleanup github runner caches on closed pull requests
- conda_cron conda_cron
- CPU Long Tests (manual dispatch) CPU Long Tests (manual dispatch)
- Create and publish a Docker image Create and publish a Docker image
- Create OpenFE Conda-Lock File Create OpenFE Conda-Lock File
- Daily package install tests. Daily package install tests.
- GPU Integration Tests (manual dispatch) GPU Integration Tests (manual dispatch)
- Make single-file installers (manual dispatch) Make single-file installers (manual dispatch)
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- Caches

Cleanup github runner caches on closed pull requests

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325 workflow runs

[WIP] Prototype HybridTop update for continuations Cleanup github runner caches on closed pull requests #653: Pull request #1699 closed by IAlibay

1m 50s multiunit-rfe

multiunit-rfe

1m 50s

remove mypy rdkit pin Cleanup github runner caches on closed pull requests #652: Pull request #1753 closed by mikemhenry

13s ci/mypy_env

ci/mypy_env

13s

expose KartografAtomMapper alongside other AtomMappers Cleanup github runner caches on closed pull requests #651: Pull request #1751 closed by atravitz

8s docs/show_kartograf_in_docs

docs/show_kartograf_in_docs

fix deprecation warning on view_components_3d Cleanup github runner caches on closed pull requests #650: Pull request #1750 closed by atravitz

9s fix/3dviz_deprecation_warning

fix/3dviz_deprecation_warning

bump cuda version to 11.8 Cleanup github runner caches on closed pull requests #649: Pull request #1749 closed by mikemhenry

9s fix/docker-cude-version

fix/docker-cude-version

bump python version for conda cron Cleanup github runner caches on closed pull requests #648: Pull request #1748 closed by mikemhenry

8s ci/update_conda_cron_python_version

ci/update_conda_cron_python_version

add openeye w/ python 3.13 test to CI Cleanup github runner caches on closed pull requests #647: Pull request #1745 closed by atravitz

8s ci/add_openeye_python313

ci/add_openeye_python313

update manifest to include all .gz files Cleanup github runner caches on closed pull requests #646: Pull request #1746 closed by atravitz

12s update_manifest

update_manifest

12s

update install instructions Cleanup github runner caches on closed pull requests #645: Pull request #1744 closed by atravitz

7s docs/update_install_python_version

docs/update_install_python_version

release/1.8.0 Cleanup github runner caches on closed pull requests #644: Pull request #1734 closed by atravitz

8s release/1.8.0

release/1.8.0

add docs for gathering septop and abfe Cleanup github runner caches on closed pull requests #643: Pull request #1737 closed by atravitz

12s docs/add_gather_experimental_docs

docs/add_gather_experimental_docs

12s

Add AbsoluteFactory options to AlchemicalSettings Cleanup github runner caches on closed pull requests #642: Pull request #1742 closed by atravitz

11s absolute_alchemicalsettings

absolute_alchemicalsettings

11s

bump ExampleNotebooks version Cleanup github runner caches on closed pull requests #641: Pull request #1738 closed by atravitz

10s docs/update_example_notebooks

docs/update_example_notebooks

10s

switch pymbar warning to info and only raise if already set Cleanup github runner caches on closed pull requests #640: Pull request #1736 closed by atravitz

9s pymbar_warning

pymbar_warning

docs: handle common case where ExampleNotebooks already exists and is on a tag Cleanup github runner caches on closed pull requests #639: Pull request #1735 closed by mikemhenry

7s docs/fix_example_notebook_sync

docs/fix_example_notebook_sync

feat: experimental openfe gather-septop & openfe gather-abfe support Cleanup github runner caches on closed pull requests #638: Pull request #1710 closed by atravitz

9s feat/cli-gather-improvements

feat/cli-gather-improvements

xfail for test_openmm_run_engine if openeye and nagl are both present Cleanup github runner caches on closed pull requests #637: Pull request #1733 closed by atravitz

11s maint/xfail_abfe_openeye_nagl

maint/xfail_abfe_openeye_nagl

11s

remove unused command fetch rbfe-showcase Cleanup github runner caches on closed pull requests #636: Pull request #1732 closed by atravitz

10s maint/remove-unused-fetch

maint/remove-unused-fetch

10s

Comment out uploading files from feedstock package test Cleanup github runner caches on closed pull requests #635: Pull request #1714 closed by atravitz

8s fix/conda-pkg-test-upload-log

fix/conda-pkg-test-upload-log

make gather septop/abfe output headers accurately reflect error type Cleanup github runner caches on closed pull requests #634: Pull request #1712 closed by atravitz

9s cli/fix_gather_repeat_headers

cli/fix_gather_repeat_headers

Disable JAX acceleration by default Cleanup github runner caches on closed pull requests #633: Pull request #1694 closed by mikemhenry

13s feat/disable-jax

feat/disable-jax

13s

make sure all names are returned as strings Cleanup github runner caches on closed pull requests #632: Pull request #1711 closed by atravitz

11s fix/names_are_strings

fix/names_are_strings

11s

Check user charges are not changed by espaloma Cleanup github runner caches on closed pull requests #631: Pull request #1707 closed by IAlibay

7s espaloma_user_charges

espaloma_user_charges

add stdout message for experimental gathering support Cleanup github runner caches on closed pull requests #630: Pull request #1703 closed by atravitz

8s add_gather_warnings

add_gather_warnings

updating install recommendations to prioritize miniconda and conda-lock Cleanup github runner caches on closed pull requests #629: Pull request #1692 closed by atravitz

6s docs/update_install_instructions

docs/update_install_instructions

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