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Cheaper test variants for Github Actions #97

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merged 5 commits into from
Jan 22, 2025

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@mscho527 mscho527 commented Jan 22, 2025

Try to reduce time for expensive tests
Use exxdiv=None before #61
Ask pytest to always log expensive tests and time breakdown

7min / tests --> 5.5 min on github actions; save cpu hrs, save the planet :)

@mscho527 mscho527 changed the title Add frozen core variants for Github Actions Cheaper test variants for Github Actions Jan 22, 2025
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============================== slowest durations ===============================
69.93s call     tests/chempot_molBE_test.py::TestBE_restricted::test_octane_sto3g_ben
24.32s call     tests/molbe_octane_test.py::test_octane_molbe
22.54s call     tests/molbe_octane_get_rdms_test.py::test_rdm
20.81s call     tests/kbe_polyacetylene_test.py::test_polyacetylene
18.93s call     tests/molbe_octane_test.py::test_cubegen
18.18s call     tests/fragmentation_test.py::TestBE_Fragmentation::test_graphgen_autogen_octane_be2

The top one takes a while because it is doing both BE2 and BE3. We could change BE3 for octane to BE3/MP2, but perhaps on a different PR? I think this change could be potentially somewhat contentious.

@mscho527 mscho527 marked this pull request as ready for review January 22, 2025 20:02
@mscho527 mscho527 requested a review from mcocdawc January 22, 2025 20:02
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just a short question about the pytest call. Otherwise looks good to me

.github/workflows/quemb_unittest.yml Show resolved Hide resolved
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cool cool nice nice

@mscho527 mscho527 merged commit c3e6885 into troyvvgroup:main Jan 22, 2025
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@mscho527 mscho527 deleted the cheaper_kpttest branch January 22, 2025 20:45
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2 participants