[INFO] fetching crate ruqu-qgat-mol 0.1.32... [INFO] testing ruqu-qgat-mol-0.1.32 against master#562dee4820c458d823175268e41601d4c060588a for pr-154210-2 [INFO] extracting crate ruqu-qgat-mol 0.1.32 into /workspace/builds/worker-2-tc1/source [INFO] started tweaking crates.io crate ruqu-qgat-mol 0.1.32 [INFO] removed 0 missing tests [INFO] finished tweaking crates.io crate ruqu-qgat-mol 0.1.32 [INFO] tweaked toml for crates.io crate ruqu-qgat-mol 0.1.32 written to /workspace/builds/worker-2-tc1/source/Cargo.toml [INFO] validating manifest of crates.io crate ruqu-qgat-mol 0.1.32 on toolchain 562dee4820c458d823175268e41601d4c060588a [INFO] running `Command { std: CARGO_HOME="/workspace/cargo-home" RUSTUP_HOME="/workspace/rustup-home" "/workspace/cargo-home/bin/cargo" "+562dee4820c458d823175268e41601d4c060588a" "metadata" "--manifest-path" "Cargo.toml" "--no-deps", kill_on_drop: false }` [INFO] crate crates.io crate ruqu-qgat-mol 0.1.32 already has a lockfile, it will not be regenerated [INFO] running `Command { std: CARGO_HOME="/workspace/cargo-home" RUSTUP_HOME="/workspace/rustup-home" "/workspace/cargo-home/bin/cargo" "+562dee4820c458d823175268e41601d4c060588a" "fetch" "--manifest-path" "Cargo.toml", kill_on_drop: false }` [INFO] [stderr] Updating crates.io index [INFO] [stderr] Downloading crates ... [INFO] [stderr] Downloaded napi-sys v2.4.0 [INFO] [stderr] Downloaded napi v2.16.17 [INFO] [stderr] Downloaded napi-derive-backend v1.0.75 [INFO] [stderr] Downloaded napi-derive v2.16.13 [INFO] [stderr] Downloaded proptest v1.9.0 [INFO] running `Command { std: "docker" "create" "-v" "/var/lib/crater-agent-workspace/builds/worker-2-tc1/target:/opt/rustwide/target:rw,Z" "-v" "/var/lib/crater-agent-workspace/builds/worker-2-tc1/source:/opt/rustwide/workdir:ro,Z" "-v" "/var/lib/crater-agent-workspace/cargo-home:/opt/rustwide/cargo-home:ro,Z" "-v" "/var/lib/crater-agent-workspace/rustup-home:/opt/rustwide/rustup-home:ro,Z" "-e" "SOURCE_DIR=/opt/rustwide/workdir" "-e" "CARGO_TARGET_DIR=/opt/rustwide/target" "-e" "CARGO_HOME=/opt/rustwide/cargo-home" "-e" "RUSTUP_HOME=/opt/rustwide/rustup-home" "-w" "/opt/rustwide/workdir" "-m" "1610612736" "--user" "0:0" "--network" "none" "ghcr.io/rust-lang/crates-build-env/linux@sha256:d429b63d4308055ea97f60fb1d3dfca48854a00942f1bd2ad806beaf015945ec" "/opt/rustwide/cargo-home/bin/cargo" "+562dee4820c458d823175268e41601d4c060588a" "metadata" "--no-deps" "--format-version=1", kill_on_drop: false }` [INFO] [stdout] 1fe3a51d3196d4e2ebb98519a5551bd83df7bd455e050cea50bd12f8d1a5c309 [INFO] running `Command { std: "docker" "start" "-a" "1fe3a51d3196d4e2ebb98519a5551bd83df7bd455e050cea50bd12f8d1a5c309", kill_on_drop: false }` [INFO] running `Command { std: "docker" "inspect" "1fe3a51d3196d4e2ebb98519a5551bd83df7bd455e050cea50bd12f8d1a5c309", kill_on_drop: false }` [INFO] running `Command { std: "docker" "rm" "-f" "1fe3a51d3196d4e2ebb98519a5551bd83df7bd455e050cea50bd12f8d1a5c309", kill_on_drop: false }` [INFO] [stdout] 1fe3a51d3196d4e2ebb98519a5551bd83df7bd455e050cea50bd12f8d1a5c309 [INFO] running `Command { std: "docker" "create" "-v" "/var/lib/crater-agent-workspace/builds/worker-2-tc1/target:/opt/rustwide/target:rw,Z" "-v" "/var/lib/crater-agent-workspace/builds/worker-2-tc1/source:/opt/rustwide/workdir:ro,Z" "-v" "/var/lib/crater-agent-workspace/cargo-home:/opt/rustwide/cargo-home:ro,Z" "-v" "/var/lib/crater-agent-workspace/rustup-home:/opt/rustwide/rustup-home:ro,Z" "-e" "SOURCE_DIR=/opt/rustwide/workdir" "-e" "CARGO_TARGET_DIR=/opt/rustwide/target" "-e" "CARGO_INCREMENTAL=0" "-e" "RUST_BACKTRACE=full" "-e" "RUSTFLAGS=--cap-lints=forbid" "-e" "RUSTDOCFLAGS=--cap-lints=forbid" "-e" "CARGO_HOME=/opt/rustwide/cargo-home" "-e" "RUSTUP_HOME=/opt/rustwide/rustup-home" "-w" "/opt/rustwide/workdir" "-m" "1610612736" "--user" "0:0" "--network" "none" "ghcr.io/rust-lang/crates-build-env/linux@sha256:d429b63d4308055ea97f60fb1d3dfca48854a00942f1bd2ad806beaf015945ec" "/opt/rustwide/cargo-home/bin/cargo" "+562dee4820c458d823175268e41601d4c060588a" "build" "--frozen" "--message-format=json", kill_on_drop: false }` [INFO] [stdout] 2c46d26ee760c92daac276924de5ec20ae189e2debe1507da0a9ccdbf66ea60e [INFO] running `Command { std: "docker" "start" "-a" "2c46d26ee760c92daac276924de5ec20ae189e2debe1507da0a9ccdbf66ea60e", kill_on_drop: false }` [INFO] [stderr] Compiling zerocopy v0.8.33 [INFO] [stderr] Compiling num-traits v0.2.19 [INFO] [stderr] Compiling syn v2.0.114 [INFO] [stderr] Compiling getrandom v0.2.17 [INFO] [stderr] Compiling matrixmultiply v0.3.10 [INFO] [stderr] Compiling zmij v1.0.14 [INFO] [stderr] Compiling rawpointer v0.2.1 [INFO] [stderr] Compiling parking_lot_core v0.9.12 [INFO] [stderr] Compiling rayon v1.11.0 [INFO] [stderr] Compiling rand_core v0.6.4 [INFO] [stderr] Compiling parking_lot v0.12.5 [INFO] [stderr] Compiling serde_json v1.0.149 [INFO] [stderr] Compiling num-complex v0.4.6 [INFO] [stderr] Compiling num-integer v0.1.46 [INFO] [stderr] Compiling ppv-lite86 v0.2.21 [INFO] [stderr] Compiling rand_chacha v0.3.1 [INFO] [stderr] Compiling serde_derive v1.0.228 [INFO] [stderr] Compiling thiserror-impl v2.0.17 [INFO] [stderr] Compiling rand v0.8.5 [INFO] [stderr] Compiling thiserror v2.0.17 [INFO] [stderr] Compiling rand_distr v0.4.3 [INFO] [stderr] Compiling serde v1.0.228 [INFO] [stderr] Compiling ndarray v0.16.1 [INFO] [stderr] Compiling ruqu-qgat-mol v0.1.32 (/opt/rustwide/workdir) [INFO] [stderr] Finished `dev` profile [unoptimized + debuginfo] target(s) in 15.37s [INFO] running `Command { std: "docker" "inspect" "2c46d26ee760c92daac276924de5ec20ae189e2debe1507da0a9ccdbf66ea60e", kill_on_drop: false }` [INFO] running `Command { std: "docker" "rm" "-f" "2c46d26ee760c92daac276924de5ec20ae189e2debe1507da0a9ccdbf66ea60e", kill_on_drop: false }` [INFO] [stdout] 2c46d26ee760c92daac276924de5ec20ae189e2debe1507da0a9ccdbf66ea60e [INFO] running `Command { std: "docker" "create" "-v" "/var/lib/crater-agent-workspace/builds/worker-2-tc1/target:/opt/rustwide/target:rw,Z" "-v" "/var/lib/crater-agent-workspace/builds/worker-2-tc1/source:/opt/rustwide/workdir:ro,Z" "-v" "/var/lib/crater-agent-workspace/cargo-home:/opt/rustwide/cargo-home:ro,Z" "-v" "/var/lib/crater-agent-workspace/rustup-home:/opt/rustwide/rustup-home:ro,Z" "-e" "SOURCE_DIR=/opt/rustwide/workdir" "-e" "CARGO_TARGET_DIR=/opt/rustwide/target" "-e" "CARGO_INCREMENTAL=0" "-e" "RUST_BACKTRACE=full" "-e" "RUSTFLAGS=--cap-lints=forbid" "-e" "RUSTDOCFLAGS=--cap-lints=forbid" "-e" "CARGO_HOME=/opt/rustwide/cargo-home" "-e" "RUSTUP_HOME=/opt/rustwide/rustup-home" "-w" "/opt/rustwide/workdir" "-m" "1610612736" "--user" "0:0" "--network" "none" "ghcr.io/rust-lang/crates-build-env/linux@sha256:d429b63d4308055ea97f60fb1d3dfca48854a00942f1bd2ad806beaf015945ec" "/opt/rustwide/cargo-home/bin/cargo" "+562dee4820c458d823175268e41601d4c060588a" "test" "--frozen" "--no-run" "--message-format=json", kill_on_drop: false }` [INFO] [stdout] f3a3c490d21f0ed98524e3460f0a85afefb721d68bee0841273e3d436dafcfde [INFO] running `Command { std: "docker" "start" "-a" "f3a3c490d21f0ed98524e3460f0a85afefb721d68bee0841273e3d436dafcfde", kill_on_drop: false }` [INFO] [stderr] Compiling zerocopy v0.8.33 [INFO] [stderr] Compiling syn v2.0.114 [INFO] [stderr] Compiling getrandom v0.3.4 [INFO] [stderr] Compiling rustix v1.1.3 [INFO] [stderr] Compiling clap_lex v0.7.7 [INFO] [stderr] Compiling num-integer v0.1.46 [INFO] [stderr] Compiling num-complex v0.4.6 [INFO] [stderr] Compiling wait-timeout v0.2.1 [INFO] [stderr] Compiling regex-automata v0.4.13 [INFO] [stderr] Compiling itertools v0.10.5 [INFO] [stderr] Compiling bit-vec v0.8.0 [INFO] [stderr] Compiling plotters v0.3.7 [INFO] [stderr] Compiling is-terminal v0.4.17 [INFO] [stderr] Compiling unarray v0.1.4 [INFO] [stderr] Compiling approx v0.5.1 [INFO] [stderr] Compiling rand_core v0.9.5 [INFO] [stderr] Compiling clap_builder v4.5.54 [INFO] [stderr] Compiling bit-set v0.8.0 [INFO] [stderr] Compiling rand v0.9.2 [INFO] [stderr] Compiling rand_xorshift v0.4.0 [INFO] [stderr] Compiling regex v1.12.2 [INFO] [stderr] Compiling criterion-plot v0.5.0 [INFO] [stderr] Compiling tempfile v3.24.0 [INFO] [stderr] Compiling clap v4.5.54 [INFO] [stderr] Compiling rusty-fork v0.3.1 [INFO] [stderr] Compiling zerocopy-derive v0.8.33 [INFO] [stderr] Compiling serde_derive v1.0.228 [INFO] [stderr] Compiling thiserror-impl v2.0.17 [INFO] [stderr] Compiling thiserror v2.0.17 [INFO] [stderr] Compiling serde v1.0.228 [INFO] [stderr] Compiling ppv-lite86 v0.2.21 [INFO] [stderr] Compiling half v2.7.1 [INFO] [stderr] Compiling tinytemplate v1.2.1 [INFO] [stderr] Compiling ndarray v0.16.1 [INFO] [stderr] Compiling ciborium-ll v0.2.2 [INFO] [stderr] Compiling rand_chacha v0.3.1 [INFO] [stderr] Compiling ciborium v0.2.2 [INFO] [stderr] Compiling rand_chacha v0.9.0 [INFO] [stderr] Compiling proptest v1.9.0 [INFO] [stderr] Compiling rand v0.8.5 [INFO] [stderr] Compiling criterion v0.5.1 [INFO] [stderr] Compiling rand_distr v0.4.3 [INFO] [stderr] Compiling ruqu-qgat-mol v0.1.32 (/opt/rustwide/workdir) [INFO] [stdout] warning: unused imports: `AttentionError`, `OrbitalEncoderConfig`, and `OrbitalError` [INFO] [stdout] --> tests/integration_tests.rs:8:13 [INFO] [stdout] | [INFO] [stdout] 8 | error::{AttentionError, GraphError, OrbitalError, QgatMolError}, [INFO] [stdout] | ^^^^^^^^^^^^^^ ^^^^^^^^^^^^ [INFO] [stdout] 9 | graph::{Atom, Bond, BondType, Element, Hybridization, MolecularGraph}, [INFO] [stdout] 10 | orbital::{ElectronDensity, OrbitalEncoder, OrbitalEncoderConfig, OrbitalType, QuantumCoupling, SlaterOrbital}, [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] | [INFO] [stdout] = note: `#[warn(unused_imports)]` (part of `#[warn(unused)]`) on by default [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: unused variable: `o_feat` [INFO] [stdout] --> tests/integration_tests.rs:300:9 [INFO] [stdout] | [INFO] [stdout] 300 | let o_feat = encoder.encode_atom(&Atom::new(Element::Oxygen, [0.0, 0.0, 0.0])); [INFO] [stdout] | ^^^^^^ help: if this is intentional, prefix it with an underscore: `_o_feat` [INFO] [stdout] | [INFO] [stdout] = note: `#[warn(unused_variables)]` (part of `#[warn(unused)]`) on by default [INFO] [stdout] [INFO] [stdout] [INFO] [stderr] Finished `test` profile [unoptimized + debuginfo] target(s) in 28.05s [INFO] running `Command { std: "docker" "inspect" "f3a3c490d21f0ed98524e3460f0a85afefb721d68bee0841273e3d436dafcfde", kill_on_drop: false }` [INFO] running `Command { std: "docker" "rm" "-f" "f3a3c490d21f0ed98524e3460f0a85afefb721d68bee0841273e3d436dafcfde", kill_on_drop: false }` [INFO] [stdout] f3a3c490d21f0ed98524e3460f0a85afefb721d68bee0841273e3d436dafcfde [INFO] running `Command { std: "docker" "create" "-v" "/var/lib/crater-agent-workspace/builds/worker-2-tc1/target:/opt/rustwide/target:rw,Z" "-v" "/var/lib/crater-agent-workspace/builds/worker-2-tc1/source:/opt/rustwide/workdir:ro,Z" "-v" "/var/lib/crater-agent-workspace/cargo-home:/opt/rustwide/cargo-home:ro,Z" "-v" "/var/lib/crater-agent-workspace/rustup-home:/opt/rustwide/rustup-home:ro,Z" "-e" "SOURCE_DIR=/opt/rustwide/workdir" "-e" "CARGO_TARGET_DIR=/opt/rustwide/target" "-e" "CARGO_INCREMENTAL=0" "-e" "RUST_BACKTRACE=full" "-e" "RUSTFLAGS=--cap-lints=forbid" "-e" "RUSTDOCFLAGS=--cap-lints=forbid" "-e" "CARGO_HOME=/opt/rustwide/cargo-home" "-e" "RUSTUP_HOME=/opt/rustwide/rustup-home" "-w" "/opt/rustwide/workdir" "-m" "1610612736" "--user" "0:0" "--network" "none" "ghcr.io/rust-lang/crates-build-env/linux@sha256:d429b63d4308055ea97f60fb1d3dfca48854a00942f1bd2ad806beaf015945ec" "/opt/rustwide/cargo-home/bin/cargo" "+562dee4820c458d823175268e41601d4c060588a" "test" "--frozen", kill_on_drop: false }` [INFO] [stdout] cad9d6955f1c7926eb9a72e810dfc2bb70c768be8971c6a0331c36b3bec6eca8 [INFO] running `Command { std: "docker" "start" "-a" "cad9d6955f1c7926eb9a72e810dfc2bb70c768be8971c6a0331c36b3bec6eca8", kill_on_drop: false }` [INFO] [stderr] warning: unused imports: `AttentionError`, `OrbitalEncoderConfig`, and `OrbitalError` [INFO] [stderr] --> tests/integration_tests.rs:8:13 [INFO] [stderr] | [INFO] [stderr] 8 | error::{AttentionError, GraphError, OrbitalError, QgatMolError}, [INFO] [stderr] | ^^^^^^^^^^^^^^ ^^^^^^^^^^^^ [INFO] [stderr] 9 | graph::{Atom, Bond, BondType, Element, Hybridization, MolecularGraph}, [INFO] [stderr] 10 | orbital::{ElectronDensity, OrbitalEncoder, OrbitalEncoderConfig, OrbitalType, QuantumCoupling, SlaterOrbital}, [INFO] [stderr] | ^^^^^^^^^^^^^^^^^^^^ [INFO] [stderr] | [INFO] [stderr] = note: `#[warn(unused_imports)]` (part of `#[warn(unused)]`) on by default [INFO] [stderr] [INFO] [stderr] warning: unused variable: `o_feat` [INFO] [stderr] --> tests/integration_tests.rs:300:9 [INFO] [stderr] | [INFO] [stderr] 300 | let o_feat = encoder.encode_atom(&Atom::new(Element::Oxygen, [0.0, 0.0, 0.0])); [INFO] [stderr] | ^^^^^^ help: if this is intentional, prefix it with an underscore: `_o_feat` [INFO] [stderr] | [INFO] [stderr] = note: `#[warn(unused_variables)]` (part of `#[warn(unused)]`) on by default [INFO] [stderr] [INFO] [stderr] warning: `ruqu-qgat-mol` (test "integration_tests") generated 2 warnings (run `cargo fix --test "integration_tests" -p ruqu-qgat-mol` to apply 2 suggestions) [INFO] [stderr] Finished `test` profile [unoptimized + debuginfo] target(s) in 0.19s [INFO] [stderr] Running unittests src/lib.rs (/opt/rustwide/target/debug/deps/ruqu_qgat_mol-bf1c59eb51a203e2) [INFO] [stdout] [INFO] [stdout] running 90 tests [INFO] [stdout] test attention::tests::test_config_validation ... ok [INFO] [stdout] test attention::tests::test_head_dim ... ok [INFO] [stdout] test attention::tests::test_pooling_mean ... ok [INFO] [stdout] test attention::tests::test_pooling_max ... ok [INFO] [stdout] test attention::tests::test_pooling_sum ... ok [INFO] [stdout] test attention::tests::test_pooling_attention ... ok [INFO] [stdout] test error::tests::test_attention_error_display ... ok [INFO] [stdout] test error::tests::test_dimension_mismatch_error ... ok [INFO] [stdout] test error::tests::test_error_conversion ... ok [INFO] [stdout] test error::tests::test_graph_error_display ... ok [INFO] [stdout] test error::tests::test_orbital_error_display ... ok [INFO] [stdout] test attention::tests::test_forward_pass ... ok [INFO] [stdout] test graph::tests::test_acetylene_triple_bond ... ok [INFO] [stdout] test graph::tests::test_atom_creation ... ok [INFO] [stdout] test error::tests::test_prediction_error_display ... ok [INFO] [stdout] test graph::tests::test_atom_distance ... ok [INFO] [stdout] test graph::tests::test_adjacency_matrix ... ok [INFO] [stdout] test graph::tests::test_benzene_molecule ... ok [INFO] [stdout] test graph::tests::test_bond_between ... ok [INFO] [stdout] test graph::tests::test_bond_properties ... ok [INFO] [stdout] test graph::tests::test_center_of_mass ... ok [INFO] [stdout] test graph::tests::test_degree_matrix ... ok [INFO] [stdout] test graph::tests::test_element_from_symbol ... ok [INFO] [stdout] test graph::tests::test_duplicate_bond_error ... ok [INFO] [stdout] test graph::tests::test_element_properties ... ok [INFO] [stdout] test graph::tests::test_ethylene_double_bond ... ok [INFO] [stdout] test graph::tests::test_hybridization_properties ... ok [INFO] [stdout] test graph::tests::test_methane_molecule ... ok [INFO] [stdout] test attention::tests::test_dimension_mismatch_error ... ok [INFO] [stdout] test graph::tests::test_molecular_graph_creation ... ok [INFO] [stdout] test graph::tests::test_molecular_weight ... ok [INFO] [stdout] test graph::tests::test_neighbors ... ok [INFO] [stdout] test graph::tests::test_self_loop_error ... ok [INFO] [stdout] test graph::tests::test_validate_empty_molecule ... ok [INFO] [stdout] test graph::tests::test_validate_valid_molecule ... ok [INFO] [stdout] test graph::tests::test_water_molecule ... ok [INFO] [stdout] test orbital::tests::test_config_without_normalization ... ok [INFO] [stdout] test orbital::tests::test_encode_atoms_batch ... ok [INFO] [stdout] test orbital::tests::test_encode_different_elements ... ok [INFO] [stdout] test orbital::tests::test_encoder_feature_dim ... ok [INFO] [stdout] test orbital::tests::test_encode_atom ... ok [INFO] [stdout] test orbital::tests::test_minimal_config ... ok [INFO] [stdout] test orbital::tests::test_coupling_matrix ... ok [INFO] [stdout] test orbital::tests::test_orbital_name ... ok [INFO] [stdout] test attention::tests::test_leaky_relu ... ok [INFO] [stdout] test attention::tests::test_layer_norm ... ok [INFO] [stdout] test orbital::tests::test_orbital_overlap ... ok [INFO] [stdout] test orbital::tests::test_orbital_type_properties ... ok [INFO] [stdout] test orbital::tests::test_electron_density ... ok [INFO] [stdout] test attention::tests::test_dropout ... ok [INFO] [stdout] test attention::tests::test_shape_mismatch_error ... ok [INFO] [stdout] test orbital::tests::test_quantum_coupling ... ok [INFO] [stdout] test orbital::tests::test_slater_orbital_density ... ok [INFO] [stdout] test orbital::tests::test_overlap_matrix ... ok [INFO] [stdout] test orbital::tests::test_slater_exponents ... ok [INFO] [stdout] test orbital::tests::test_slater_orbital_radial ... ok [INFO] [stdout] test predictor::tests::test_dipole_co2_symmetric ... ok [INFO] [stdout] test predictor::tests::test_homo_lumo_calculator ... ok [INFO] [stdout] test predictor::tests::test_dipole_moment_calculator ... ok [INFO] [stdout] test attention::tests::test_without_edge_features ... ok [INFO] [stdout] test attention::tests::test_forward_methane ... ok [INFO] [stdout] test attention::tests::test_without_quantum_coupling ... ok [INFO] [stdout] test graph::tests::test_edge_features ... ok [INFO] [stdout] test attention::tests::test_qgat_creation ... ok [INFO] [stdout] test orbital::tests::test_orbital_validation ... ok [INFO] [stdout] test predictor::tests::test_property_predictions_serialization ... ok [INFO] [stdout] test predictor::tests::test_property_type_range ... ok [INFO] [stdout] test predictor::tests::test_property_type_unit ... ok [INFO] [stdout] test predictor::tests::test_reference_energies ... ok [INFO] [stdout] test attention::tests::test_network_parameters ... ok [INFO] [stdout] test tests::test_error_types ... ok [INFO] [stdout] test attention::tests::test_forward_benzene ... ok [INFO] [stdout] test tests::test_orbital_types ... ok [INFO] [stdout] test tests::test_re_exports ... ok [INFO] [stdout] test tests::test_version ... ok [INFO] [stdout] test predictor::tests::test_ionization_potential ... ok [INFO] [stdout] test attention::tests::test_multi_layer_network ... ok [INFO] [stdout] test predictor::tests::test_batch_predictor ... ok [INFO] [stdout] test predictor::tests::test_polarizability ... ok [INFO] [stdout] test predictor::tests::test_predictor_creation ... ok [INFO] [stdout] test predictor::tests::test_empty_molecule_error ... ok [INFO] [stdout] test predictor::tests::test_predict_homo_lumo_water ... ok [INFO] [stdout] test predictor::tests::test_predict_methane ... ok [INFO] [stdout] test predictor::tests::test_predict_energy_water ... ok [INFO] [stdout] test predictor::tests::test_predict_dipole_water ... ok [INFO] [stdout] test predictor::tests::test_predict_benzene ... ok [INFO] [stdout] test predictor::tests::test_predict_all ... ok [INFO] [stdout] test predictor::tests::test_batch_predict_all ... ok [INFO] [stdout] test tests::test_full_pipeline ... ok [INFO] [stdout] test tests::test_all_molecules ... ok [INFO] [stdout] [INFO] [stdout] test result: ok. 90 passed; 0 failed; 0 ignored; 0 measured; 0 filtered out; finished in 0.64s [INFO] [stdout] [INFO] [stderr] Running tests/integration_tests.rs (/opt/rustwide/target/debug/deps/integration_tests-e85b62520b247754) [INFO] [stdout] [INFO] [stdout] running 50 tests [INFO] [stdout] test test_acetylene_triple_bond ... ok [INFO] [stdout] test test_benzene_molecule_structure ... ok [INFO] [stdout] test test_attention_pooling ... ok [INFO] [stdout] test test_bond_type_properties ... ok [INFO] [stdout] test test_custom_molecule_construction ... ok [INFO] [stdout] test test_dipole_calculator ... ok [INFO] [stdout] test test_electron_density ... ok [INFO] [stdout] test test_element_from_atomic_number ... ok [INFO] [stdout] test test_adjacency_matrix ... ok [INFO] [stdout] test test_duplicate_bond_error ... ok [INFO] [stdout] test test_element_from_symbol ... ok [INFO] [stdout] test test_element_properties ... ok [INFO] [stdout] test test_ethylene_double_bond ... ok [INFO] [stdout] test test_hybridization ... ok [INFO] [stdout] test test_methane_molecule_structure ... ok [INFO] [stdout] test test_molecular_weight_calculation ... ok [INFO] [stdout] test test_orbital_overlap_self ... ok [INFO] [stdout] test test_encode_atom_normalization ... ok [INFO] [stdout] test test_center_of_mass ... ok [INFO] [stdout] test test_config_serialization ... ok [INFO] [stdout] test test_graph_validation ... ok [INFO] [stdout] test test_orbital_type_quantum_numbers ... ok [INFO] [stdout] test test_orbital_validation ... ok [INFO] [stdout] test test_homo_lumo_calculator ... ok [INFO] [stdout] test test_overlap_matrix_symmetry ... ok [INFO] [stdout] test test_pooling_methods ... ok [INFO] [stdout] test test_encode_different_elements ... ok [INFO] [stdout] test test_orbital_overlap_distance_decay ... ok [INFO] [stdout] test test_orbital_encoder_feature_dim ... ok [INFO] [stdout] test test_reference_energies ... ok [INFO] [stdout] test test_self_loop_error ... ok [INFO] [stdout] test test_serialization_roundtrip ... ok [INFO] [stdout] test test_quantum_coupling ... ok [INFO] [stdout] test test_slater_orbital_radial ... ok [INFO] [stdout] test test_water_molecule_structure ... ok [INFO] [stdout] test test_property_type_ranges ... ok [INFO] [stdout] test test_property_type_units ... ok [INFO] [stdout] test test_qgat_config_validation ... ok [INFO] [stdout] test test_qgat_without_quantum_coupling ... ok [INFO] [stdout] test test_shape_mismatch_error ... ok [INFO] [stdout] test test_qgat_forward_water ... ok [INFO] [stdout] test test_qgat_forward_benzene ... ok [INFO] [stdout] test test_empty_molecule_error ... ok [INFO] [stdout] test test_predictor_homo_lumo ... ok [INFO] [stdout] test test_predictor_all_properties ... ok [INFO] [stdout] test test_predictor_dipole ... ok [INFO] [stdout] test test_predictor_energy ... ok [INFO] [stdout] test test_multi_layer_network ... ok [INFO] [stdout] test test_batch_predictor ... ok [INFO] [stdout] test test_full_pipeline_all_molecules ... ok [INFO] [stdout] [INFO] [stdout] test result: ok. 50 passed; 0 failed; 0 ignored; 0 measured; 0 filtered out; finished in 0.66s [INFO] [stdout] [INFO] [stderr] Doc-tests ruqu_qgat_mol [INFO] [stdout] [INFO] [stdout] running 6 tests [INFO] [stdout] test src/graph.rs - graph (line 9) ... ok [INFO] [stdout] test src/orbital.rs - orbital (line 12) ... ok [INFO] [stdout] test src/lib.rs - (line 51) ... ok [INFO] [stdout] test src/lib.rs - (line 22) ... ok [INFO] [stdout] test src/attention.rs - attention (line 8) ... ok [INFO] [stdout] test src/predictor.rs - predictor (line 10) ... ok [INFO] [stdout] [INFO] [stdout] test result: ok. 6 passed; 0 failed; 0 ignored; 0 measured; 0 filtered out; finished in 0.94s [INFO] [stdout] [INFO] running `Command { std: "docker" "inspect" "cad9d6955f1c7926eb9a72e810dfc2bb70c768be8971c6a0331c36b3bec6eca8", kill_on_drop: false }` [INFO] running `Command { std: "docker" "rm" "-f" "cad9d6955f1c7926eb9a72e810dfc2bb70c768be8971c6a0331c36b3bec6eca8", kill_on_drop: false }` [INFO] [stdout] cad9d6955f1c7926eb9a72e810dfc2bb70c768be8971c6a0331c36b3bec6eca8