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Bump CI actions and lint hooks, plus small correctness fixes #2781
abhijeetgangantest.yml
on: pull_request
Matrix: test-examples
all-required-pass
3s
Annotations
2 errors, 17 warnings, and 59 notices
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test-model (ubuntu-latest, 3.12, lowest-direct, mattersim, tests/models/test_mattersim.py)
Process completed with exit code 1.
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test-model (macos-14, 3.12, lowest-direct, mattersim, tests/models/test_mattersim.py)
Process completed with exit code 1.
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test-model (ubuntu-latest, 3.14, highest, metatomic, tests/models/test_metatomic.py)
Failed to save: Unable to reserve cache with key setup-uv-2-x86_64-unknown-linux-gnu-ubuntu-24.04-3.14.8-pruned-bb4850ea48b9adda4d59c1cefeaf913c67c33021af9c1ac66f7f44b4bbbb892f, another job may be creating this cache.
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test-model (ubuntu-latest, 3.14, highest, nequix, tests/models/test_nequix.py)
Failed to save: Unable to reserve cache with key setup-uv-2-x86_64-unknown-linux-gnu-ubuntu-24.04-3.14.8-pruned-bb4850ea48b9adda4d59c1cefeaf913c67c33021af9c1ac66f7f44b4bbbb892f, another job may be creating this cache.
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test-model (ubuntu-latest, 3.14, highest, mace, tests/test_elastic.py)
Failed to save: Unable to reserve cache with key setup-uv-2-x86_64-unknown-linux-gnu-ubuntu-24.04-3.14.8-pruned-bb4850ea48b9adda4d59c1cefeaf913c67c33021af9c1ac66f7f44b4bbbb892f, another job may be creating this cache.
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test-model (ubuntu-latest, 3.12, lowest-direct, mace, tests/test_elastic.py)
Failed to save: Unable to reserve cache with key setup-uv-2-x86_64-unknown-linux-gnu-ubuntu-24.04-3.12.15-pruned-bb4850ea48b9adda4d59c1cefeaf913c67c33021af9c1ac66f7f44b4bbbb892f, another job may be creating this cache.
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test-core (ubuntu-latest, 3.14, lowest-direct)
Failed to save: Unable to reserve cache with key setup-uv-2-x86_64-unknown-linux-gnu-ubuntu-24.04-3.14.8-pruned-bb4850ea48b9adda4d59c1cefeaf913c67c33021af9c1ac66f7f44b4bbbb892f, another job may be creating this cache.
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test-model (ubuntu-latest, 3.14, highest, mace, tests/test_optimizers_vs_ase.py)
Failed to save: Unable to reserve cache with key setup-uv-2-x86_64-unknown-linux-gnu-ubuntu-24.04-3.14.8-pruned-bb4850ea48b9adda4d59c1cefeaf913c67c33021af9c1ac66f7f44b4bbbb892f, another job may be creating this cache.
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test-core (ubuntu-latest, 3.14, highest)
Failed to save: Unable to reserve cache with key setup-uv-2-x86_64-unknown-linux-gnu-ubuntu-24.04-3.14.8-pruned-bb4850ea48b9adda4d59c1cefeaf913c67c33021af9c1ac66f7f44b4bbbb892f, another job may be creating this cache.
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test-model (ubuntu-latest, 3.14, highest, sevenn, tests/models/test_sevennet.py)
Failed to save: Unable to reserve cache with key setup-uv-2-x86_64-unknown-linux-gnu-ubuntu-24.04-3.14.8-pruned-bb4850ea48b9adda4d59c1cefeaf913c67c33021af9c1ac66f7f44b4bbbb892f, another job may be creating this cache.
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test-model (macos-14, 3.12, lowest-direct, mace, tests/test_optimizers_vs_ase.py)
Failed to save: Unable to reserve cache with key setup-uv-2-aarch64-apple-darwin-macos-14-3.12.10-pruned-bb4850ea48b9adda4d59c1cefeaf913c67c33021af9c1ac66f7f44b4bbbb892f, another job may be creating this cache.
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test-model (macos-14, 3.12, lowest-direct, orb, tests/models/test_orb.py)
Failed to save: Unable to reserve cache with key setup-uv-2-aarch64-apple-darwin-macos-14-3.12.10-pruned-bb4850ea48b9adda4d59c1cefeaf913c67c33021af9c1ac66f7f44b4bbbb892f, another job may be creating this cache.
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test-model (ubuntu-latest, 3.12, lowest-direct, metatomic, tests/models/test_metatomic.py)
Failed to save: Unable to reserve cache with key setup-uv-2-x86_64-unknown-linux-gnu-ubuntu-24.04-3.12.15-pruned-bb4850ea48b9adda4d59c1cefeaf913c67c33021af9c1ac66f7f44b4bbbb892f, another job may be creating this cache.
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test-core (macos-14, 3.14, highest)
Failed to save: Unable to reserve cache with key setup-uv-2-aarch64-apple-darwin-macos-14-3.14.7-pruned-bb4850ea48b9adda4d59c1cefeaf913c67c33021af9c1ac66f7f44b4bbbb892f, another job may be creating this cache.
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test-model (ubuntu-latest, 3.12, lowest-direct, orb, tests/models/test_orb.py)
Failed to save: Unable to reserve cache with key setup-uv-2-x86_64-unknown-linux-gnu-ubuntu-24.04-3.12.15-pruned-bb4850ea48b9adda4d59c1cefeaf913c67c33021af9c1ac66f7f44b4bbbb892f, another job may be creating this cache.
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test-model (ubuntu-latest, 3.12, lowest-direct, nequip, tests/models/test_nequip_framework.py)
Failed to save: Unable to reserve cache with key setup-uv-2-x86_64-unknown-linux-gnu-ubuntu-24.04-3.12.15-pruned-bb4850ea48b9adda4d59c1cefeaf913c67c33021af9c1ac66f7f44b4bbbb892f, another job may be creating this cache.
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test-model (ubuntu-latest, 3.12, lowest-direct, mace, tests/test_optimizers_vs_ase.py)
Failed to save: Unable to reserve cache with key setup-uv-2-x86_64-unknown-linux-gnu-ubuntu-24.04-3.12.15-pruned-bb4850ea48b9adda4d59c1cefeaf913c67c33021af9c1ac66f7f44b4bbbb892f, another job may be creating this cache.
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test-core (ubuntu-latest, 3.12, lowest-direct)
Failed to save: Unable to reserve cache with key setup-uv-2-x86_64-unknown-linux-gnu-ubuntu-24.04-3.12.15-pruned-bb4850ea48b9adda4d59c1cefeaf913c67c33021af9c1ac66f7f44b4bbbb892f, another job may be creating this cache.
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test-model (ubuntu-latest, 3.12, lowest-direct, sevenn, tests/models/test_sevennet.py)
Failed to save: Unable to reserve cache with key setup-uv-2-x86_64-unknown-linux-gnu-ubuntu-24.04-3.12.15-pruned-bb4850ea48b9adda4d59c1cefeaf913c67c33021af9c1ac66f7f44b4bbbb892f, another job may be creating this cache.
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find-examples
"The ubuntu-latest label will migrate to Ubuntu 26 beginning October 19, 2026. For more information, see https://github.com/actions/runner-images/issues/14748"
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test-model (ubuntu-latest, 3.12, lowest-direct, mattersim, tests/models/test_mattersim.py)
"The ubuntu-latest label will migrate to Ubuntu 26 beginning October 19, 2026. For more information, see https://github.com/actions/runner-images/issues/14748"
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test-model (ubuntu-latest, 3.14, highest, mace, tests/models/test_mace.py)
"The ubuntu-latest label will migrate to Ubuntu 26 beginning October 19, 2026. For more information, see https://github.com/actions/runner-images/issues/14748"
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test-model (ubuntu-latest, 3.14, highest, metatomic, tests/models/test_metatomic.py)
"The ubuntu-latest label will migrate to Ubuntu 26 beginning October 19, 2026. For more information, see https://github.com/actions/runner-images/issues/14748"
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test-model (ubuntu-latest, 3.14, highest, nequix, tests/models/test_nequix.py)
"The ubuntu-latest label will migrate to Ubuntu 26 beginning October 19, 2026. For more information, see https://github.com/actions/runner-images/issues/14748"
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test-model (macos-14, 3.14, highest, mattersim, tests/models/test_mattersim.py)
Due to capacity constraints, jobs targeting macOS arm64 runners may experience longer queue times.
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test-model (ubuntu-latest, 3.12, lowest-direct, fairchem, tests/models/test_fairchem.py)
"The ubuntu-latest label will migrate to Ubuntu 26 beginning October 19, 2026. For more information, see https://github.com/actions/runner-images/issues/14748"
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test-model (macos-14, 3.12, lowest-direct, mace, tests/models/test_mace.py)
Due to capacity constraints, jobs targeting macOS arm64 runners may experience longer queue times.
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test-model (ubuntu-latest, 3.14, highest, mace, tests/test_elastic.py)
"The ubuntu-latest label will migrate to Ubuntu 26 beginning October 19, 2026. For more information, see https://github.com/actions/runner-images/issues/14748"
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test-model (ubuntu-latest, 3.12, lowest-direct, mace, tests/test_elastic.py)
"The ubuntu-latest label will migrate to Ubuntu 26 beginning October 19, 2026. For more information, see https://github.com/actions/runner-images/issues/14748"
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test-model (ubuntu-latest, 3.14, highest, mattersim, tests/models/test_mattersim.py)
"The ubuntu-latest label will migrate to Ubuntu 26 beginning October 19, 2026. For more information, see https://github.com/actions/runner-images/issues/14748"
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test-model (macos-14, 3.14, highest, nequix, tests/models/test_nequix.py)
Due to capacity constraints, jobs targeting macOS arm64 runners may experience longer queue times.
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test-core (ubuntu-latest, 3.14, lowest-direct)
"The ubuntu-latest label will migrate to Ubuntu 26 beginning October 19, 2026. For more information, see https://github.com/actions/runner-images/issues/14748"
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test-model (ubuntu-latest, 3.14, highest, mace, tests/test_optimizers_vs_ase.py)
"The ubuntu-latest label will migrate to Ubuntu 26 beginning October 19, 2026. For more information, see https://github.com/actions/runner-images/issues/14748"
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test-core (ubuntu-latest, 3.14, highest)
"The ubuntu-latest label will migrate to Ubuntu 26 beginning October 19, 2026. For more information, see https://github.com/actions/runner-images/issues/14748"
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test-model (ubuntu-latest, 3.14, highest, sevenn, tests/models/test_sevennet.py)
"The ubuntu-latest label will migrate to Ubuntu 26 beginning October 19, 2026. For more information, see https://github.com/actions/runner-images/issues/14748"
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test-model (ubuntu-latest, 3.12, lowest-direct, nequix, tests/models/test_nequix.py)
"The ubuntu-latest label will migrate to Ubuntu 26 beginning October 19, 2026. For more information, see https://github.com/actions/runner-images/issues/14748"
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test-model (macos-14, 3.12, lowest-direct, mace, tests/test_optimizers_vs_ase.py)
Due to capacity constraints, jobs targeting macOS arm64 runners may experience longer queue times.
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test-model (ubuntu-latest, 3.12, lowest-direct, mace, tests/models/test_mace.py)
"The ubuntu-latest label will migrate to Ubuntu 26 beginning October 19, 2026. For more information, see https://github.com/actions/runner-images/issues/14748"
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test-model (macos-14, 3.12, lowest-direct, orb, tests/models/test_orb.py)
Due to capacity constraints, jobs targeting macOS arm64 runners may experience longer queue times.
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test-model (ubuntu-latest, 3.12, lowest-direct, metatomic, tests/models/test_metatomic.py)
"The ubuntu-latest label will migrate to Ubuntu 26 beginning October 19, 2026. For more information, see https://github.com/actions/runner-images/issues/14748"
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test-core (macos-14, 3.14, highest)
Due to capacity constraints, jobs targeting macOS arm64 runners may experience longer queue times.
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test-examples (examples/tutorials/autobatching_tutorial.py)
"The ubuntu-latest label will migrate to Ubuntu 26 beginning October 19, 2026. For more information, see https://github.com/actions/runner-images/issues/14748"
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test-examples (examples/scripts/6_phonons.py)
"The ubuntu-latest label will migrate to Ubuntu 26 beginning October 19, 2026. For more information, see https://github.com/actions/runner-images/issues/14748"
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test-examples (examples/tutorials/reporting_tutorial.py)
"The ubuntu-latest label will migrate to Ubuntu 26 beginning October 19, 2026. For more information, see https://github.com/actions/runner-images/issues/14748"
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test-model (ubuntu-latest, 3.12, lowest-direct, orb, tests/models/test_orb.py)
"The ubuntu-latest label will migrate to Ubuntu 26 beginning October 19, 2026. For more information, see https://github.com/actions/runner-images/issues/14748"
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test-model (macos-14, 3.14, highest, mace, tests/test_elastic.py)
Due to capacity constraints, jobs targeting macOS arm64 runners may experience longer queue times.
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test-examples (examples/scripts/2_structural_optimization.py)
"The ubuntu-latest label will migrate to Ubuntu 26 beginning October 19, 2026. For more information, see https://github.com/actions/runner-images/issues/14748"
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test-examples (examples/tutorials/hybrid_swap_tutorial.py)
"The ubuntu-latest label will migrate to Ubuntu 26 beginning October 19, 2026. For more information, see https://github.com/actions/runner-images/issues/14748"
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test-examples (examples/tutorials/low_level_tutorial.py)
"The ubuntu-latest label will migrate to Ubuntu 26 beginning October 19, 2026. For more information, see https://github.com/actions/runner-images/issues/14748"
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test-model (macos-14, 3.12, lowest-direct, fairchem, tests/models/test_fairchem.py)
Due to capacity constraints, jobs targeting macOS arm64 runners may experience longer queue times.
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test-examples (examples/tutorials/reproducible_restart_tutorial.py)
"The ubuntu-latest label will migrate to Ubuntu 26 beginning October 19, 2026. For more information, see https://github.com/actions/runner-images/issues/14748"
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test-examples (examples/scripts/1_introduction.py)
"The ubuntu-latest label will migrate to Ubuntu 26 beginning October 19, 2026. For more information, see https://github.com/actions/runner-images/issues/14748"
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test-model (macos-14, 3.12, lowest-direct, metatomic, tests/models/test_metatomic.py)
Due to capacity constraints, jobs targeting macOS arm64 runners may experience longer queue times.
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test-model (ubuntu-latest, 3.12, lowest-direct, nequip, tests/models/test_nequip_framework.py)
"The ubuntu-latest label will migrate to Ubuntu 26 beginning October 19, 2026. For more information, see https://github.com/actions/runner-images/issues/14748"
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test-model (ubuntu-latest, 3.12, lowest-direct, mace, tests/test_optimizers_vs_ase.py)
"The ubuntu-latest label will migrate to Ubuntu 26 beginning October 19, 2026. For more information, see https://github.com/actions/runner-images/issues/14748"
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test-examples (examples/tutorials/high_level_tutorial.py)
"The ubuntu-latest label will migrate to Ubuntu 26 beginning October 19, 2026. For more information, see https://github.com/actions/runner-images/issues/14748"
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test-examples (examples/tutorials/state_tutorial.py)
"The ubuntu-latest label will migrate to Ubuntu 26 beginning October 19, 2026. For more information, see https://github.com/actions/runner-images/issues/14748"
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test-examples (examples/scripts/7_others.py)
"The ubuntu-latest label will migrate to Ubuntu 26 beginning October 19, 2026. For more information, see https://github.com/actions/runner-images/issues/14748"
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test-examples (examples/scripts/5_workflow.py)
"The ubuntu-latest label will migrate to Ubuntu 26 beginning October 19, 2026. For more information, see https://github.com/actions/runner-images/issues/14748"
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test-examples (examples/scripts/4_high_level_api.py)
"The ubuntu-latest label will migrate to Ubuntu 26 beginning October 19, 2026. For more information, see https://github.com/actions/runner-images/issues/14748"
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test-core (ubuntu-latest, 3.12, lowest-direct)
"The ubuntu-latest label will migrate to Ubuntu 26 beginning October 19, 2026. For more information, see https://github.com/actions/runner-images/issues/14748"
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test-core (ubuntu-latest, 3.12, highest)
"The ubuntu-latest label will migrate to Ubuntu 26 beginning October 19, 2026. For more information, see https://github.com/actions/runner-images/issues/14748"
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test-model (ubuntu-latest, 3.12, lowest-direct, sevenn, tests/models/test_sevennet.py)
"The ubuntu-latest label will migrate to Ubuntu 26 beginning October 19, 2026. For more information, see https://github.com/actions/runner-images/issues/14748"
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test-model (macos-14, 3.12, lowest-direct, mace, tests/test_elastic.py)
Due to capacity constraints, jobs targeting macOS arm64 runners may experience longer queue times.
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test-model (macos-14, 3.14, highest, mace, tests/test_optimizers_vs_ase.py)
Due to capacity constraints, jobs targeting macOS arm64 runners may experience longer queue times.
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test-examples (examples/scripts/3_dynamics.py)
"The ubuntu-latest label will migrate to Ubuntu 26 beginning October 19, 2026. For more information, see https://github.com/actions/runner-images/issues/14748"
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test-model (macos-14, 3.12, lowest-direct, nequix, tests/models/test_nequix.py)
Due to capacity constraints, jobs targeting macOS arm64 runners may experience longer queue times.
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test-core (macos-14, 3.14, lowest-direct)
Due to capacity constraints, jobs targeting macOS arm64 runners may experience longer queue times.
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test-core (macos-14, 3.12, lowest-direct)
Due to capacity constraints, jobs targeting macOS arm64 runners may experience longer queue times.
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test-model (macos-14, 3.14, highest, sevenn, tests/models/test_sevennet.py)
Due to capacity constraints, jobs targeting macOS arm64 runners may experience longer queue times.
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test-model (macos-14, 3.14, highest, mace, tests/models/test_mace.py)
Due to capacity constraints, jobs targeting macOS arm64 runners may experience longer queue times.
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test-model (macos-14, 3.12, lowest-direct, sevenn, tests/models/test_sevennet.py)
Due to capacity constraints, jobs targeting macOS arm64 runners may experience longer queue times.
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test-model (macos-14, 3.12, lowest-direct, nequip, tests/models/test_nequip_framework.py)
Due to capacity constraints, jobs targeting macOS arm64 runners may experience longer queue times.
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test-model (macos-14, 3.14, highest, metatomic, tests/models/test_metatomic.py)
Due to capacity constraints, jobs targeting macOS arm64 runners may experience longer queue times.
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test-model (macos-14, 3.12, lowest-direct, mattersim, tests/models/test_mattersim.py)
Due to capacity constraints, jobs targeting macOS arm64 runners may experience longer queue times.
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test-core (macos-14, 3.12, highest)
Due to capacity constraints, jobs targeting macOS arm64 runners may experience longer queue times.
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test-examples (examples/tutorials/diff_sim.py)
"The ubuntu-latest label will migrate to Ubuntu 26 beginning October 19, 2026. For more information, see https://github.com/actions/runner-images/issues/14748"
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all-required-pass
"The ubuntu-latest label will migrate to Ubuntu 26 beginning October 19, 2026. For more information, see https://github.com/actions/runner-images/issues/14748"
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