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MAINT: update pins in MACE phonons example. Remove misleading ty from… #1184

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MAINT: update pins in MACE phonons example. Remove misleading ty from…

MAINT: update pins in MACE phonons example. Remove misleading ty from… #1184

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Job Run time
test-core (ubuntu-latest, 3.11, highest)
1m 43s
find-examples
6s
test-core (macos-14, 3.12, lowest-direct)
1m 56s
test-core (macos-14, 3.11, highest)
1m 11s
test-core (ubuntu-latest, 3.12, lowest-direct)
2m 6s
test-model (ubuntu-latest, 3.11, highest, fairchem, tests/models/test_fairchem.py)
2m 18s
test-model (ubuntu-latest, 3.11, highest, graphpes, tests/models/test_graphpes.py)
1m 23s
test-model (ubuntu-latest, 3.11, highest, mace, tests/test_optimizers_vs_ase.py)
1m 28s
test-model (ubuntu-latest, 3.11, highest, mattersim, tests/models/test_mattersim.py)
1m 8s
test-model (ubuntu-latest, 3.11, highest, metatomic, tests/models/test_metatomic.py)
1m 7s
test-model (ubuntu-latest, 3.12, lowest-direct, fairchem, tests/models/test_fairchem.py)
2m 39s
test-model (ubuntu-latest, 3.11, highest, mace, tests/test_elastic.py)
1m 46s
test-model (ubuntu-latest, 3.11, highest, sevenn, tests/models/test_sevennet.py)
4m 40s
test-model (ubuntu-latest, 3.11, highest, mace, tests/models/test_mace.py)
1m 1s
test-model (ubuntu-latest, 3.12, lowest-direct, mace, tests/models/test_mace.py)
1m 7s
test-model (ubuntu-latest, 3.12, lowest-direct, mace, tests/test_optimizers_vs_ase.py)
1m 53s
test-model (ubuntu-latest, 3.12, lowest-direct, graphpes, tests/models/test_graphpes.py)
1m 21s
test-model (ubuntu-latest, 3.11, highest, orb, tests/models/test_orb.py)
2m 57s
test-model (ubuntu-latest, 3.12, lowest-direct, mattersim, tests/models/test_mattersim.py)
1m 6s
test-model (ubuntu-latest, 3.12, lowest-direct, sevenn, tests/models/test_sevennet.py)
5m 24s
test-model (macos-14, 3.11, highest, graphpes, tests/models/test_graphpes.py)
1m 26s
test-model (ubuntu-latest, 3.12, lowest-direct, mace, tests/test_elastic.py)
1m 54s
test-model (ubuntu-latest, 3.12, lowest-direct, metatomic, tests/models/test_metatomic.py)
52s
test-model (ubuntu-latest, 3.12, lowest-direct, orb, tests/models/test_orb.py)
3m 13s
test-model (macos-14, 3.11, highest, mace, tests/test_elastic.py)
2m 17s
test-model (macos-14, 3.11, highest, fairchem, tests/models/test_fairchem.py)
3m 32s
test-model (macos-14, 3.11, highest, mace, tests/models/test_mace.py)
1m 11s
test-model (macos-14, 3.11, highest, orb, tests/models/test_orb.py)
2m 5s
test-model (macos-14, 3.12, lowest-direct, mace, tests/test_elastic.py)
2m 31s
test-model (macos-14, 3.11, highest, mace, tests/test_optimizers_vs_ase.py)
1m 20s
test-model (macos-14, 3.11, highest, metatomic, tests/models/test_metatomic.py)
49s
test-model (macos-14, 3.11, highest, mattersim, tests/models/test_mattersim.py)
1m 6s
test-model (macos-14, 3.12, lowest-direct, fairchem, tests/models/test_fairchem.py)
5m 3s
test-model (macos-14, 3.12, lowest-direct, graphpes, tests/models/test_graphpes.py)
1m 25s
test-model (macos-14, 3.12, lowest-direct, mace, tests/test_optimizers_vs_ase.py)
1m 56s
test-model (macos-14, 3.12, lowest-direct, mattersim, tests/models/test_mattersim.py)
1m 16s
test-model (macos-14, 3.12, lowest-direct, mace, tests/models/test_mace.py)
1m 3s
test-model (macos-14, 3.11, highest, sevenn, tests/models/test_sevennet.py)
4m 29s
test-model (macos-14, 3.12, lowest-direct, metatomic, tests/models/test_metatomic.py)
58s
test-model (macos-14, 3.12, lowest-direct, sevenn, tests/models/test_sevennet.py)
4m 11s
test-model (macos-14, 3.12, lowest-direct, orb, tests/models/test_orb.py)
2m 57s
test-examples (examples/tutorials/hybrid_swap_tutorial.py)
1m 23s
test-examples (examples/tutorials/state_tutorial.py)
1m 14s
test-examples (examples/tutorials/autobatching_tutorial.py)
2m 41s
test-examples (examples/tutorials/reporting_tutorial.py)
1m 6s
test-examples (examples/tutorials/high_level_tutorial.py)
2m 57s
test-examples (examples/scripts/1_Introduction/1.2_MACE.py)
1m 24s
test-examples (examples/tutorials/using_graphpes_tutorial.py)
54s
test-examples (examples/tutorials/low_level_tutorial.py)
2m 6s
test-examples (examples/tutorials/metatomic_tutorial.py)
55s
test-examples (examples/scripts/1_Introduction/1.1_Lennard_Jones.py)
41s
test-examples (examples/scripts/6_Phonons/6.3_Conductivity_MACE.py)
1m 23s
test-examples (examples/scripts/6_Phonons/6.1_Phonons_MACE.py)
1m 35s
test-examples (examples/scripts/6_Phonons/6.2_QuasiHarmonic_MACE.py)
1m 49s
test-examples (examples/scripts/2_Structural_optimization/2.6_MACE_UnitCellFilter_FIRE.py)
1m 29s
test-examples (examples/scripts/1_Introduction/1.3_Fairchem.py)
49s
test-examples (examples/scripts/2_Structural_optimization/2.2_Soft_Sphere_FIRE.py)
40s
test-examples (examples/scripts/2_Structural_optimization/2.5_MACE_UnitCellFilter_Gradient_Descen...
1m 31s
test-examples (examples/scripts/2_Structural_optimization/2.4_MACE_FIRE.py)
1m 44s
test-examples (examples/scripts/2_Structural_optimization/2.1_Lennard_Jones_FIRE.py)
41s
test-examples (examples/scripts/2_Structural_optimization/2.3_MACE_Gradient_Descent.py)
1m 33s
test-examples (examples/scripts/4_High_level_api/4.1_high_level_api.py)
2m 11s
test-examples (examples/scripts/2_Structural_optimization/2.7_MACE_FrechetCellFilter_FIRE.py)
1m 24s
test-examples (examples/scripts/5_Workflow/5.2_In_Flight_WBM.py)
1m 30s
test-examples (examples/scripts/5_Workflow/5.1_a2c_silicon_batched.py)
1m 47s
test-examples (examples/scripts/4_High_level_api/4.2_auto_batching_api.py)
1m 19s
test-examples (examples/scripts/7_Others/7.2_Stress_autograd.py)
40s
test-examples (examples/scripts/7_Others/7.4_Velocity_AutoCorrelation.py)
2m 15s
test-examples (examples/scripts/7_Others/7.6_Compare_ASE_to_VV_FIRE.py)
2m 18s
test-examples (examples/scripts/3_Dynamics/3.8_MACE_NPT_Nose_Hoover.py)
1m 52s
test-examples (examples/scripts/7_Others/7.3_Batched_neighbor_list.py)
39s
test-examples (examples/scripts/3_Dynamics/3.5_MACE_NVT_Nose_Hoover.py)
1m 24s
test-examples (examples/scripts/3_Dynamics/3.10_Hybrid_swap_mc.py)
1m 30s
test-examples (examples/scripts/3_Dynamics/3.9_MACE_NVT_staggered_stress.py)
1m 31s
test-examples (examples/scripts/3_Dynamics/3.7_Lennard_Jones_NPT_Nose_Hoover.py)
44s
test-examples (examples/scripts/3_Dynamics/3.11_Lennard_Jones_NPT_Langevin.py)
37s
test-examples (examples/scripts/3_Dynamics/3.12_MACE_NPT_Langevin.py)
1m 47s
test-examples (examples/scripts/5_Workflow/5.3_Elastic.py)
1m 45s
test-examples (examples/scripts/3_Dynamics/3.2_MACE_NVE.py)
1m 28s
test-examples (examples/scripts/7_Others/7.1_Soft_sphere_autograd.py)
53s
test-examples (examples/scripts/3_Dynamics/3.3_MACE_NVE_cueq.py)
1m 22s
test-examples (examples/scripts/3_Dynamics/3.1_Lennard_Jones_NVE.py)
35s
test-examples (examples/scripts/3_Dynamics/3.13_MACE_NVE_non_pbc.py)
1m 15s
test-examples (examples/scripts/3_Dynamics/3.6_MACE_NVT_Nose_Hoover_temp_profile.py)
1m 56s
test-examples (examples/scripts/3_Dynamics/3.4_MACE_NVT_Langevin.py)
1m 31s
test-core (ubuntu-latest, 3.11, highest)
1m 43s
test-model (ubuntu-latest, 3.11, highest, mace, tests/test_elastic.py)
1m 46s
test-core (ubuntu-latest, 3.12, lowest-direct)
2m 6s
test-core (macos-14, 3.12, lowest-direct)
1m 56s
test-model (ubuntu-latest, 3.11, highest, metatomic, tests/models/test_metatomic.py)
1m 7s
test-examples (examples/tutorials/hybrid_swap_tutorial.py)
1m 23s
test-model (ubuntu-latest, 3.11, highest, mattersim, tests/models/test_mattersim.py)
1m 8s
test-model (ubuntu-latest, 3.11, highest, orb, tests/models/test_orb.py)
2m 57s
test-examples (examples/scripts/1_Introduction/1.3_Fairchem.py)
49s
test-model (ubuntu-latest, 3.11, highest, graphpes, tests/models/test_graphpes.py)
1m 23s
test-model (ubuntu-latest, 3.11, highest, mace, tests/test_optimizers_vs_ase.py)
1m 28s
test-core (macos-14, 3.11, highest)
1m 11s
test-examples (examples/scripts/1_Introduction/1.2_MACE.py)
1m 24s
find-examples
6s
test-examples (examples/scripts/1_Introduction/1.1_Lennard_Jones.py)
41s
test-model (ubuntu-latest, 3.12, lowest-direct, mace, tests/models/test_mace.py)
1m 7s
test-examples (examples/scripts/6_Phonons/6.3_Conductivity_MACE.py)
1m 23s
test-model (ubuntu-latest, 3.12, lowest-direct, graphpes, tests/models/test_graphpes.py)
1m 21s
test-model (ubuntu-latest, 3.12, lowest-direct, mattersim, tests/models/test_mattersim.py)
1m 6s
test-model (ubuntu-latest, 3.12, lowest-direct, fairchem, tests/models/test_fairchem.py)
2m 39s
test-model (ubuntu-latest, 3.11, highest, fairchem, tests/models/test_fairchem.py)
2m 18s
test-examples (examples/tutorials/reporting_tutorial.py)
1m 6s
test-examples (examples/tutorials/using_graphpes_tutorial.py)
54s
test-model (ubuntu-latest, 3.11, highest, sevenn, tests/models/test_sevennet.py)
4m 40s
test-model (ubuntu-latest, 3.11, highest, mace, tests/models/test_mace.py)
1m 1s
test-examples (examples/tutorials/high_level_tutorial.py)
2m 57s
test-model (ubuntu-latest, 3.12, lowest-direct, metatomic, tests/models/test_metatomic.py)
52s
test-model (ubuntu-latest, 3.12, lowest-direct, sevenn, tests/models/test_sevennet.py)
5m 24s
test-examples (examples/tutorials/state_tutorial.py)
1m 14s
test-examples (examples/tutorials/low_level_tutorial.py)
2m 6s
test-examples (examples/tutorials/autobatching_tutorial.py)
2m 41s
test-model (ubuntu-latest, 3.12, lowest-direct, mace, tests/test_elastic.py)
1m 54s
test-examples (examples/scripts/2_Structural_optimization/2.3_MACE_Gradient_Descent.py)
1m 33s
test-model (ubuntu-latest, 3.12, lowest-direct, mace, tests/test_optimizers_vs_ase.py)
1m 53s
test-model (ubuntu-latest, 3.12, lowest-direct, orb, tests/models/test_orb.py)
3m 13s
test-examples (examples/scripts/6_Phonons/6.2_QuasiHarmonic_MACE.py)
1m 49s
test-examples (examples/tutorials/metatomic_tutorial.py)
55s
test-model (macos-14, 3.11, highest, metatomic, tests/models/test_metatomic.py)
49s
test-examples (examples/scripts/4_High_level_api/4.2_auto_batching_api.py)
1m 19s
test-model (macos-14, 3.12, lowest-direct, mace, tests/models/test_mace.py)
1m 3s
test-model (macos-14, 3.11, highest, mace, tests/test_optimizers_vs_ase.py)
1m 20s
test-examples (examples/scripts/2_Structural_optimization/2.5_MACE_UnitCellFilter_Gradient_Descen...
1m 31s
test-examples (examples/scripts/2_Structural_optimization/2.7_MACE_FrechetCellFilter_FIRE.py)
1m 24s
test-examples (examples/scripts/2_Structural_optimization/2.6_MACE_UnitCellFilter_FIRE.py)
1m 29s
test-model (macos-14, 3.11, highest, mattersim, tests/models/test_mattersim.py)
1m 6s
test-model (macos-14, 3.11, highest, orb, tests/models/test_orb.py)
2m 5s
test-model (macos-14, 3.11, highest, fairchem, tests/models/test_fairchem.py)
3m 32s
test-model (macos-14, 3.11, highest, graphpes, tests/models/test_graphpes.py)
1m 22s
test-examples (examples/scripts/2_Structural_optimization/2.4_MACE_FIRE.py)
1m 44s
test-examples (examples/scripts/2_Structural_optimization/2.2_Soft_Sphere_FIRE.py)
40s
test-examples (examples/scripts/6_Phonons/6.1_Phonons_MACE.py)
1m 35s
test-examples (examples/scripts/7_Others/7.1_Soft_sphere_autograd.py)
53s
test-examples (examples/scripts/7_Others/7.2_Stress_autograd.py)
40s
test-model (macos-14, 3.11, highest, sevenn, tests/models/test_sevennet.py)
4m 29s
test-examples (examples/scripts/5_Workflow/5.1_a2c_silicon_batched.py)
1m 47s
test-model (macos-14, 3.12, lowest-direct, orb, tests/models/test_orb.py)
2m 57s
test-examples (examples/scripts/7_Others/7.4_Velocity_AutoCorrelation.py)
2m 15s
test-model (macos-14, 3.11, highest, mace, tests/models/test_mace.py)
1m 11s
test-examples (examples/scripts/4_High_level_api/4.1_high_level_api.py)
2m 11s
test-examples (examples/scripts/5_Workflow/5.2_In_Flight_WBM.py)
1m 30s
test-model (macos-14, 3.11, highest, mace, tests/test_elastic.py)
2m 17s
test-examples (examples/scripts/2_Structural_optimization/2.1_Lennard_Jones_FIRE.py)
41s
test-model (macos-14, 3.12, lowest-direct, metatomic, tests/models/test_metatomic.py)
58s
test-examples (examples/scripts/3_Dynamics/3.8_MACE_NPT_Nose_Hoover.py)
1m 52s
test-model (macos-14, 3.12, lowest-direct, graphpes, tests/models/test_graphpes.py)
1m 25s
test-examples (examples/scripts/5_Workflow/5.3_Elastic.py)
1m 45s
test-model (macos-14, 3.12, lowest-direct, mace, tests/test_optimizers_vs_ase.py)
1m 56s
test-model (macos-14, 3.12, lowest-direct, sevenn, tests/models/test_sevennet.py)
4m 11s
test-model (macos-14, 3.12, lowest-direct, mattersim, tests/models/test_mattersim.py)
1m 16s
test-examples (examples/scripts/3_Dynamics/3.5_MACE_NVT_Nose_Hoover.py)
1m 24s
test-model (macos-14, 3.12, lowest-direct, mace, tests/test_elastic.py)
2m 31s
test-model (macos-14, 3.12, lowest-direct, fairchem, tests/models/test_fairchem.py)
5m 3s
test-examples (examples/scripts/7_Others/7.3_Batched_neighbor_list.py)
39s
test-examples (examples/scripts/7_Others/7.6_Compare_ASE_to_VV_FIRE.py)
2m 18s
test-examples (examples/scripts/3_Dynamics/3.12_MACE_NPT_Langevin.py)
1m 47s
test-examples (examples/scripts/3_Dynamics/3.4_MACE_NVT_Langevin.py)
1m 31s
test-examples (examples/scripts/3_Dynamics/3.10_Hybrid_swap_mc.py)
1m 30s
test-examples (examples/scripts/3_Dynamics/3.2_MACE_NVE.py)
1m 28s
test-examples (examples/scripts/3_Dynamics/3.9_MACE_NVT_staggered_stress.py)
1m 31s
test-examples (examples/scripts/3_Dynamics/3.11_Lennard_Jones_NPT_Langevin.py)
37s
test-examples (examples/scripts/3_Dynamics/3.7_Lennard_Jones_NPT_Nose_Hoover.py)
44s
test-examples (examples/scripts/3_Dynamics/3.3_MACE_NVE_cueq.py)
1m 22s
test-examples (examples/scripts/3_Dynamics/3.6_MACE_NVT_Nose_Hoover_temp_profile.py)
1m 56s
test-examples (examples/scripts/3_Dynamics/3.13_MACE_NVE_non_pbc.py)
1m 15s
test-examples (examples/scripts/3_Dynamics/3.1_Lennard_Jones_NVE.py)
35s
4h 53m 20s