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test: run test with gh actions in docker #173

Merged
merged 12 commits into from
Aug 4, 2023
Merged

test: run test with gh actions in docker #173

merged 12 commits into from
Aug 4, 2023

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KRiedmiller
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From README:

To run the test locally, you must:

  • install docker
  • install act, easiest option is with github cli
    • install github cli (gh)
    • gh extension install https://github.com/nektos/gh-act
  • run tests with gh extension exec act -j test --artifact-server-path ./artifacts
    • customize which python versions to test in tox.ini
    • html coverage report is exported into artifacts

@KRiedmiller KRiedmiller self-assigned this Aug 4, 2023
@KRiedmiller
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============================= slowest 15 durations =============================
39.24s setup    tests/test_coordinates.py::test_get_bondobj
38.87s setup    tests/test_topology.py::TestHexalaTopology::test_move_34_29_after_break
38.85s setup    tests/test_topology.py::TestHexalaTopology::test_break_bond_29_35
38.51s call     tests/test_topology.py::TestTopAB::test_top_ab
20.30s setup    tests/test_homolysis.py::test_get_recipe_collection
19.93s call     tests/test_changemanager.py::test_modify_coords_break
19.92s call     tests/test_integration.py::test_grompp_with_kimmdy_topology
19.70s setup    tests/test_topology.py::TestFFPatches::test_match_atomic_item_to_atomic_type
19.57s setup    tests/test_topology.py::TestHexalaTopology::test_find_bondtypes
19.48s setup    tests/test_topology.py::TestHexalaTopology::test_top_properties
19.46s call     tests/test_integration.py::test_integration_valid_input_files
19.43s setup    tests/test_topology.py::TestTopology::test_break_bind_bond_hexala
19.26s call     tests/test_topology.py::TestTopology::test_break_bind_bond_invertible
19.09s setup    tests/test_topology.py::TestHexalaTopology::test_ff
19.09s setup    tests/test_topology.py::TestHexalaTopology::test_all_terms_accounted_for
=========================== short test summary info ============================
FAILED tests/test_topology.py::TestUrea::test_reindex_atomnumbers_after_deletion
FAILED tests/test_topology.py::TestUrea::test_reindex_atomnumbers_for_already_ordered
FAILED tests/test_topology.py::TestUrea::test_urea - ValueError: atomtypes no...
FAILED tests/test_topology.py::TestHexalaTopology::test_move_34_29_after_break
FAILED tests/test_parsing.py::test_ff_includes_with_gmxdir - KeyError: 'molec...
====== 5 failed, 58 passed, 4 deselected, 6 warnings in 483.27s (0:08:03) ======

@KRiedmiller
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..but takes ~30 mins of our free github minutes.

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This pull request does not contain a valid label. Please add one of the following labels: ['CI:run_test']

@KRiedmiller
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Finished:
Add CI:run_test label to your feature branch to trigger tests on python 3.9, 3.10 and 3.11

@KRiedmiller KRiedmiller merged commit d8de7f2 into main Aug 4, 2023
@KRiedmiller KRiedmiller deleted the tests_docker branch August 4, 2023 12:28
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