[INFO] cloning repository https://github.com/ExaPsi/IQCP
[INFO] running `Command { std: "git" "-c" "credential.helper=" "-c" "credential.helper=/workspace/cargo-home/bin/git-credential-null" "clone" "--bare" "https://github.com/ExaPsi/IQCP" "/workspace/cache/git-repos/https%3A%2F%2Fgithub.com%2FExaPsi%2FIQCP", kill_on_drop: false }`
[INFO] [stderr] Cloning into bare repository '/workspace/cache/git-repos/https%3A%2F%2Fgithub.com%2FExaPsi%2FIQCP'...
[INFO] running `Command { std: "git" "rev-parse" "HEAD", kill_on_drop: false }`
[INFO] [stdout] 9aba6729064b59aa76906a88a9f9660bb73fd17d
[INFO] testing ExaPsi/IQCP against 1.98.0-beta.1 for beta-1.98-1
[INFO] running `Command { std: "git" "clone" "/workspace/cache/git-repos/https%3A%2F%2Fgithub.com%2FExaPsi%2FIQCP" "/workspace/builds/worker-4-tc2/source", kill_on_drop: false }`
[INFO] [stderr] Cloning into '/workspace/builds/worker-4-tc2/source'...
[INFO] [stderr] done.
[INFO] removed /workspace/builds/worker-4-tc2/source/rust-toolchain.toml
[INFO] started tweaking git repo https://github.com/ExaPsi/IQCP
[INFO] finished tweaking git repo https://github.com/ExaPsi/IQCP
[INFO] tweaked toml for git repo https://github.com/ExaPsi/IQCP written to /workspace/builds/worker-4-tc2/source/Cargo.toml
[INFO] validating manifest of git repo https://github.com/ExaPsi/IQCP on toolchain 1.98.0-beta.1
[INFO] running `Command { std: CARGO_HOME="/workspace/cargo-home" RUSTUP_HOME="/workspace/rustup-home" "/workspace/cargo-home/bin/cargo" "+1.98.0-beta.1" "metadata" "--manifest-path" "Cargo.toml" "--no-deps", kill_on_drop: false }`
[INFO] crate git repo https://github.com/ExaPsi/IQCP 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" "+1.98.0-beta.1" "fetch" "--manifest-path" "Cargo.toml", kill_on_drop: false }`
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[INFO] [stderr]     Blocking waiting for file lock on package cache
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[INFO] [stdout] 31fb070f2336b03b9a84ee6325a8aab5e6f65c5a3a16f68591adb2cdbf162592
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[INFO] running `Command { std: "docker" "exec" "-e" "SOURCE_DIR=/opt/rustwide/workdir" "-e" "CARGO_HOME=/opt/rustwide/cargo-home" "-e" "RUSTUP_HOME=/opt/rustwide/rustup-home" "-e" "CARGO_TARGET_DIR=/opt/rustwide/target" "-w" "/opt/rustwide/workdir" "--user" "0:0" "31fb070f2336b03b9a84ee6325a8aab5e6f65c5a3a16f68591adb2cdbf162592" "/opt/rustwide/cargo-home/bin/cargo" "+1.98.0-beta.1" "metadata" "--no-deps" "--format-version=1", kill_on_drop: false }`
[INFO] running `Command { std: "docker" "inspect" "31fb070f2336b03b9a84ee6325a8aab5e6f65c5a3a16f68591adb2cdbf162592", kill_on_drop: false }`
[INFO] running `Command { std: "docker" "exec" "-e" "SOURCE_DIR=/opt/rustwide/workdir" "-e" "CARGO_HOME=/opt/rustwide/cargo-home" "-e" "RUSTUP_HOME=/opt/rustwide/rustup-home" "-e" "CARGO_TARGET_DIR=/opt/rustwide/target" "-e" "CARGO_INCREMENTAL=0" "-e" "RUST_BACKTRACE=full" "-e" "RUSTFLAGS=--cap-lints=warn" "-e" "RUSTDOCFLAGS=--cap-lints=warn" "-w" "/opt/rustwide/workdir" "--user" "0:0" "31fb070f2336b03b9a84ee6325a8aab5e6f65c5a3a16f68591adb2cdbf162592" "/opt/rustwide/cargo-home/bin/cargo" "+1.98.0-beta.1" "build" "--frozen" "--message-format=json", kill_on_drop: false }`
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[INFO] running `Command { std: "docker" "inspect" "31fb070f2336b03b9a84ee6325a8aab5e6f65c5a3a16f68591adb2cdbf162592", kill_on_drop: false }`
[INFO] running `Command { std: "docker" "exec" "-e" "SOURCE_DIR=/opt/rustwide/workdir" "-e" "CARGO_HOME=/opt/rustwide/cargo-home" "-e" "RUSTUP_HOME=/opt/rustwide/rustup-home" "-e" "CARGO_TARGET_DIR=/opt/rustwide/target" "-e" "CARGO_INCREMENTAL=0" "-e" "RUST_BACKTRACE=full" "-e" "RUSTFLAGS=--cap-lints=warn" "-e" "RUSTDOCFLAGS=--cap-lints=warn" "-w" "/opt/rustwide/workdir" "--user" "0:0" "31fb070f2336b03b9a84ee6325a8aab5e6f65c5a3a16f68591adb2cdbf162592" "/opt/rustwide/cargo-home/bin/cargo" "+1.98.0-beta.1" "test" "--frozen" "--no-run" "--message-format=json", kill_on_drop: false }`
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[INFO] [stderr]    Compiling qc-core v2.0.0 (/opt/rustwide/workdir/crates/qc-core)
[INFO] [stdout] warning: unused variable: `g`
[INFO] [stdout]     --> crates/qc-core/src/dft/ks_scf.rs:3410:21
[INFO] [stdout]      |
[INFO] [stdout] 3410 |                 let g = i / (n_bf * 3);
[INFO] [stdout]      |                     ^ help: if this is intentional, prefix it with an underscore: `_g`
[INFO] [stdout]      |
[INFO] [stdout]      = note: `#[warn(unused_variables)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused variable: `expected_deriv_i_x`
[INFO] [stdout]     --> crates/qc-core/src/integrals/eri/mod.rs:5985:13
[INFO] [stdout]      |
[INFO] [stdout] 5985 |         let expected_deriv_i_x = all_norm * deriv_old;
[INFO] [stdout]      |             ^^^^^^^^^^^^^^^^^^ help: if this is intentional, prefix it with an underscore: `_expected_deriv_i_x`
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused variable: `result_orig`
[INFO] [stdout]     --> crates/qc-core/src/integrals/eri/mod.rs:6621:13
[INFO] [stdout]      |
[INFO] [stdout] 6621 |         let result_orig =
[INFO] [stdout]      |             ^^^^^^^^^^^ help: if this is intentional, prefix it with an underscore: `_result_orig`
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stderr]    Compiling qc-wasm-spectra v2.0.0 (/opt/rustwide/workdir/crates/qc-wasm-spectra)
[INFO] [stderr]    Compiling qc-wasm v2.0.0 (/opt/rustwide/workdir/crates/qc-wasm)
[INFO] [stdout] warning: unused variable: `n_occ`
[INFO] [stdout]    --> crates/qc-core/examples/collect_iteration_counts.rs:118:17
[INFO] [stdout]     |
[INFO] [stdout] 118 |             let n_occ = system.n_occ();
[INFO] [stdout]     |                 ^^^^^ help: if this is intentional, prefix it with an underscore: `_n_occ`
[INFO] [stdout]     |
[INFO] [stdout]     = note: `#[warn(unused_variables)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: variable `max_t_err` is assigned to, but never used
[INFO] [stdout]    --> crates/qc-core/src/integrals/mod.rs:196:13
[INFO] [stdout]     |
[INFO] [stdout] 196 |         let mut max_t_err = 0.0_f64;
[INFO] [stdout]     |             ^^^^^^^^^^^^^
[INFO] [stdout]     |
[INFO] [stdout]     = note: consider using `_max_t_err` instead
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: variable `max_v_err` is assigned to, but never used
[INFO] [stdout]    --> crates/qc-core/src/integrals/mod.rs:197:13
[INFO] [stdout]     |
[INFO] [stdout] 197 |         let mut max_v_err = 0.0_f64;
[INFO] [stdout]     |             ^^^^^^^^^^^^^
[INFO] [stdout]     |
[INFO] [stdout]     = note: consider using `_max_v_err` instead
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: value assigned to `max_t_err` is never read
[INFO] [stdout]    --> crates/qc-core/src/integrals/mod.rs:261:9
[INFO] [stdout]     |
[INFO] [stdout] 261 |         max_t_err = (t[0] - t_ref_00).abs();
[INFO] [stdout]     |         ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
[INFO] [stdout]     |
[INFO] [stdout]     = help: maybe it is overwritten before being read?
[INFO] [stdout]     = note: `#[warn(unused_assignments)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: value assigned to `max_v_err` is never read
[INFO] [stdout]    --> crates/qc-core/src/integrals/mod.rs:262:9
[INFO] [stdout]     |
[INFO] [stdout] 262 |         max_v_err = (v[0] - v_ref_00).abs();
[INFO] [stdout]     |         ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
[INFO] [stdout]     |
[INFO] [stdout]     = help: maybe it is overwritten before being read?
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: field `basis` is never read
[INFO] [stdout]    --> crates/qc-core/examples/validate_ccpvdz.rs:187:5
[INFO] [stdout]     |
[INFO] [stdout] 185 | struct RefEntry {
[INFO] [stdout]     |        -------- field in this struct
[INFO] [stdout] 186 |     molecule: &'static str,
[INFO] [stdout] 187 |     basis: &'static str,
[INFO] [stdout]     |     ^^^^^
[INFO] [stdout]     |
[INFO] [stdout]     = note: `#[warn(dead_code)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused variable: `err`
[INFO] [stdout]    --> crates/qc-core/examples/compare_integrals.rs:213:38
[INFO] [stdout]     |
[INFO] [stdout] 213 |         for (k, iqcp_val, pyscf_val, err) in errors.iter().take(20) {
[INFO] [stdout]     |                                      ^^^ help: if this is intentional, prefix it with an underscore: `_err`
[INFO] [stdout]     |
[INFO] [stdout]     = note: `#[warn(unused_variables)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused variable: `sj`
[INFO] [stdout]   --> crates/qc-core/examples/bench_benzene_eri.rs:46:13
[INFO] [stdout]    |
[INFO] [stdout] 46 |         for sj in 0..=si {
[INFO] [stdout]    |             ^^ help: if this is intentional, prefix it with an underscore: `_sj`
[INFO] [stdout]    |
[INFO] [stdout]    = note: `#[warn(unused_variables)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused variable: `sl`
[INFO] [stdout]   --> crates/qc-core/examples/bench_benzene_eri.rs:48:21
[INFO] [stdout]    |
[INFO] [stdout] 48 |                 for sl in 0..=sk {
[INFO] [stdout]    |                     ^^ help: if this is intentional, prefix it with an underscore: `_sl`
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused variable: `nbf_p`
[INFO] [stdout]     --> crates/qc-core/src/scf/hessian.rs:4953:21
[INFO] [stdout]      |
[INFO] [stdout] 4953 |                 let nbf_p = basis_plus.n_basis;
[INFO] [stdout]      |                     ^^^^^ help: if this is intentional, prefix it with an underscore: `_nbf_p`
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused variable: `name`
[INFO] [stdout]     --> crates/qc-core/src/scf/sad.rs:1233:14
[INFO] [stdout]      |
[INFO] [stdout] 1233 |         for (name, atoms, expected_n_elec) in systems {
[INFO] [stdout]      |              ^^^^ help: if this is intentional, prefix it with an underscore: `_name`
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: field `raman_activities_a4_amu` is never read
[INFO] [stdout]   --> crates/qc-core/src/golden_phase5.rs:47:9
[INFO] [stdout]    |
[INFO] [stdout] 29 |     struct GoldenPhase5 {
[INFO] [stdout]    |            ------------ field in this struct
[INFO] [stdout] ...
[INFO] [stdout] 47 |         raman_activities_a4_amu: Vec<f64>,
[INFO] [stdout]    |         ^^^^^^^^^^^^^^^^^^^^^^^
[INFO] [stdout]    |
[INFO] [stdout]    = note: `GoldenPhase5` has a derived impl for the trait `Debug`, but this is intentionally ignored during dead code analysis
[INFO] [stdout]    = note: `#[warn(dead_code)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: fields `ir_intensity` and `raman_activity` are never read
[INFO] [stdout]   --> crates/qc-core/src/golden_phase5.rs:91:9
[INFO] [stdout]    |
[INFO] [stdout] 87 |     struct Tolerances {
[INFO] [stdout]    |            ---------- fields in this struct
[INFO] [stdout] ...
[INFO] [stdout] 91 |         ir_intensity: f64,
[INFO] [stdout]    |         ^^^^^^^^^^^^
[INFO] [stdout] 92 |         raman_activity: f64,
[INFO] [stdout]    |         ^^^^^^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stderr]     Finished `test` profile [unoptimized + debuginfo] target(s) in 1m 04s
[INFO] running `Command { std: "docker" "inspect" "31fb070f2336b03b9a84ee6325a8aab5e6f65c5a3a16f68591adb2cdbf162592", kill_on_drop: false }`
[INFO] running `Command { std: "docker" "exec" "-e" "SOURCE_DIR=/opt/rustwide/workdir" "-e" "CARGO_HOME=/opt/rustwide/cargo-home" "-e" "RUSTUP_HOME=/opt/rustwide/rustup-home" "-e" "CARGO_TARGET_DIR=/opt/rustwide/target" "-e" "CARGO_INCREMENTAL=0" "-e" "RUST_BACKTRACE=full" "-e" "RUSTFLAGS=--cap-lints=warn" "-e" "RUSTDOCFLAGS=--cap-lints=warn" "-w" "/opt/rustwide/workdir" "--user" "0:0" "31fb070f2336b03b9a84ee6325a8aab5e6f65c5a3a16f68591adb2cdbf162592" "/opt/rustwide/cargo-home/bin/cargo" "+1.98.0-beta.1" "test" "--frozen", kill_on_drop: false }`
[INFO] [stderr] warning: unused variable: `err`
[INFO] [stderr]    --> crates/qc-core/examples/compare_integrals.rs:213:38
[INFO] [stderr]     |
[INFO] [stderr] 213 |         for (k, iqcp_val, pyscf_val, err) in errors.iter().take(20) {
[INFO] [stderr]     |                                      ^^^ help: if this is intentional, prefix it with an underscore: `_err`
[INFO] [stderr]     |
[INFO] [stderr]     = note: `#[warn(unused_variables)]` (part of `#[warn(unused)]`) on by default
[INFO] [stderr] 
[INFO] [stderr] warning: `qc-core` (example "compare_integrals") generated 1 warning (run `cargo fix --example "compare_integrals" -p qc-core` to apply 1 suggestion)
[INFO] [stderr] warning: unused variable: `n_occ`
[INFO] [stderr]    --> crates/qc-core/examples/collect_iteration_counts.rs:118:17
[INFO] [stderr]     |
[INFO] [stderr] 118 |             let n_occ = system.n_occ();
[INFO] [stderr]     |                 ^^^^^ help: if this is intentional, prefix it with an underscore: `_n_occ`
[INFO] [stderr]     |
[INFO] [stderr]     = note: `#[warn(unused_variables)]` (part of `#[warn(unused)]`) on by default
[INFO] [stderr] 
[INFO] [stderr] warning: `qc-core` (example "collect_iteration_counts") generated 1 warning (run `cargo fix --example "collect_iteration_counts" -p qc-core` to apply 1 suggestion)
[INFO] [stderr] warning: unused variable: `sj`
[INFO] [stderr]   --> crates/qc-core/examples/bench_benzene_eri.rs:46:13
[INFO] [stderr]    |
[INFO] [stderr] 46 |         for sj in 0..=si {
[INFO] [stderr]    |             ^^ help: if this is intentional, prefix it with an underscore: `_sj`
[INFO] [stderr]    |
[INFO] [stderr]    = note: `#[warn(unused_variables)]` (part of `#[warn(unused)]`) on by default
[INFO] [stderr] 
[INFO] [stderr] warning: unused variable: `sl`
[INFO] [stderr]   --> crates/qc-core/examples/bench_benzene_eri.rs:48:21
[INFO] [stderr]    |
[INFO] [stderr] 48 |                 for sl in 0..=sk {
[INFO] [stderr]    |                     ^^ help: if this is intentional, prefix it with an underscore: `_sl`
[INFO] [stderr] 
[INFO] [stderr] warning: `qc-core` (example "bench_benzene_eri") generated 2 warnings (run `cargo fix --example "bench_benzene_eri" -p qc-core` to apply 2 suggestions)
[INFO] [stderr] warning: field `basis` is never read
[INFO] [stderr]    --> crates/qc-core/examples/validate_ccpvdz.rs:187:5
[INFO] [stderr]     |
[INFO] [stderr] 185 | struct RefEntry {
[INFO] [stderr]     |        -------- field in this struct
[INFO] [stderr] 186 |     molecule: &'static str,
[INFO] [stderr] 187 |     basis: &'static str,
[INFO] [stderr]     |     ^^^^^
[INFO] [stderr]     |
[INFO] [stderr]     = note: `#[warn(dead_code)]` (part of `#[warn(unused)]`) on by default
[INFO] [stderr] 
[INFO] [stderr] warning: `qc-core` (example "validate_ccpvdz") generated 1 warning
[INFO] [stderr] warning: unused variable: `g`
[INFO] [stderr]     --> crates/qc-core/src/dft/ks_scf.rs:3410:21
[INFO] [stderr]      |
[INFO] [stderr] 3410 |                 let g = i / (n_bf * 3);
[INFO] [stderr]      |                     ^ help: if this is intentional, prefix it with an underscore: `_g`
[INFO] [stderr]      |
[INFO] [stderr]      = note: `#[warn(unused_variables)]` (part of `#[warn(unused)]`) on by default
[INFO] [stderr] 
[INFO] [stderr] warning: unused variable: `expected_deriv_i_x`
[INFO] [stderr]     --> crates/qc-core/src/integrals/eri/mod.rs:5985:13
[INFO] [stderr]      |
[INFO] [stderr] 5985 |         let expected_deriv_i_x = all_norm * deriv_old;
[INFO] [stderr]      |             ^^^^^^^^^^^^^^^^^^ help: if this is intentional, prefix it with an underscore: `_expected_deriv_i_x`
[INFO] [stderr] 
[INFO] [stderr] warning: unused variable: `result_orig`
[INFO] [stderr]     --> crates/qc-core/src/integrals/eri/mod.rs:6621:13
[INFO] [stderr]      |
[INFO] [stderr] 6621 |         let result_orig =
[INFO] [stderr]      |             ^^^^^^^^^^^ help: if this is intentional, prefix it with an underscore: `_result_orig`
[INFO] [stderr] 
[INFO] [stderr] warning: variable `max_t_err` is assigned to, but never used
[INFO] [stderr]    --> crates/qc-core/src/integrals/mod.rs:196:13
[INFO] [stderr]     |
[INFO] [stderr] 196 |         let mut max_t_err = 0.0_f64;
[INFO] [stderr]     |             ^^^^^^^^^^^^^
[INFO] [stderr]     |
[INFO] [stderr]     = note: consider using `_max_t_err` instead
[INFO] [stderr] 
[INFO] [stderr] warning: variable `max_v_err` is assigned to, but never used
[INFO] [stderr]    --> crates/qc-core/src/integrals/mod.rs:197:13
[INFO] [stderr]     |
[INFO] [stderr] 197 |         let mut max_v_err = 0.0_f64;
[INFO] [stderr]     |             ^^^^^^^^^^^^^
[INFO] [stderr]     |
[INFO] [stderr]     = note: consider using `_max_v_err` instead
[INFO] [stderr] 
[INFO] [stderr] warning: value assigned to `max_t_err` is never read
[INFO] [stderr]    --> crates/qc-core/src/integrals/mod.rs:261:9
[INFO] [stderr]     |
[INFO] [stderr] 261 |         max_t_err = (t[0] - t_ref_00).abs();
[INFO] [stderr]     |         ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
[INFO] [stderr]     |
[INFO] [stderr]     = help: maybe it is overwritten before being read?
[INFO] [stderr]     = note: `#[warn(unused_assignments)]` (part of `#[warn(unused)]`) on by default
[INFO] [stderr] 
[INFO] [stderr] warning: value assigned to `max_v_err` is never read
[INFO] [stderr]    --> crates/qc-core/src/integrals/mod.rs:262:9
[INFO] [stderr]     |
[INFO] [stderr] 262 |         max_v_err = (v[0] - v_ref_00).abs();
[INFO] [stderr]     |         ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
[INFO] [stderr]     |
[INFO] [stderr]     = help: maybe it is overwritten before being read?
[INFO] [stderr] 
[INFO] [stderr] warning: unused variable: `nbf_p`
[INFO] [stderr]     --> crates/qc-core/src/scf/hessian.rs:4953:21
[INFO] [stderr]      |
[INFO] [stderr] 4953 |                 let nbf_p = basis_plus.n_basis;
[INFO] [stderr]      |                     ^^^^^ help: if this is intentional, prefix it with an underscore: `_nbf_p`
[INFO] [stderr] 
[INFO] [stderr] warning: unused variable: `name`
[INFO] [stderr]     --> crates/qc-core/src/scf/sad.rs:1233:14
[INFO] [stderr]      |
[INFO] [stderr] 1233 |         for (name, atoms, expected_n_elec) in systems {
[INFO] [stderr]      |              ^^^^ help: if this is intentional, prefix it with an underscore: `_name`
[INFO] [stderr] 
[INFO] [stderr] warning: field `raman_activities_a4_amu` is never read
[INFO] [stderr]   --> crates/qc-core/src/golden_phase5.rs:47:9
[INFO] [stderr]    |
[INFO] [stderr] 29 |     struct GoldenPhase5 {
[INFO] [stderr]    |            ------------ field in this struct
[INFO] [stderr] ...
[INFO] [stderr] 47 |         raman_activities_a4_amu: Vec<f64>,
[INFO] [stderr]    |         ^^^^^^^^^^^^^^^^^^^^^^^
[INFO] [stderr]    |
[INFO] [stderr]    = note: `GoldenPhase5` has a derived impl for the trait `Debug`, but this is intentionally ignored during dead code analysis
[INFO] [stderr]    = note: `#[warn(dead_code)]` (part of `#[warn(unused)]`) on by default
[INFO] [stderr] 
[INFO] [stderr] warning: fields `ir_intensity` and `raman_activity` are never read
[INFO] [stderr]   --> crates/qc-core/src/golden_phase5.rs:91:9
[INFO] [stderr]    |
[INFO] [stderr] 87 |     struct Tolerances {
[INFO] [stderr]    |            ---------- fields in this struct
[INFO] [stderr] ...
[INFO] [stderr] 91 |         ir_intensity: f64,
[INFO] [stderr]    |         ^^^^^^^^^^^^
[INFO] [stderr] 92 |         raman_activity: f64,
[INFO] [stderr]    |         ^^^^^^^^^^^^^^
[INFO] [stderr] 
[INFO] [stderr] warning: `qc-core` (lib test) generated 11 warnings (run `cargo fix --lib -p qc-core --tests` to apply 5 suggestions)
[INFO] [stderr]     Finished `test` profile [unoptimized + debuginfo] target(s) in 0.22s
[INFO] [stderr]      Running unittests src/lib.rs (/opt/rustwide/target/debug/deps/qc_core-a4fe6cad9290d487)
[INFO] [stdout] 
[INFO] [stdout] running 1249 tests
[INFO] [stdout] test basis::atom::tests::test_atom_creation ... ok
[INFO] [stdout] test basis::atom::tests::test_atom_clone_and_equality ... ok
[INFO] [stdout] test basis::atom::tests::test_atom_distance ... ok
[INFO] [stdout] test basis::atom::tests::test_atom_display ... ok
[INFO] [stdout] test basis::atom::tests::test_atom_creation_cl ... ok
[INFO] [stdout] test basis::atom::tests::test_atom_distance_3d ... ok
[INFO] [stdout] test basis::atom::tests::test_atom_from_symbol ... ok
[INFO] [stdout] test basis::atom::tests::test_atom_from_symbol_case_insensitive ... ok
[INFO] [stdout] test basis::atom::tests::test_atom_invalid ... ok
[INFO] [stdout] test basis::atom::tests::test_atom_getters ... ok
[INFO] [stdout] test basis::atom::tests::test_atom_new_angstrom ... ok
[INFO] [stdout] test basis::atom::tests::test_atomic_number_to_name ... ok
[INFO] [stdout] test basis::atom::tests::test_atom_serde ... ok
[INFO] [stdout] test basis::atom::tests::test_atomic_number_to_symbol ... ok
[INFO] [stdout] test basis::atom::tests::test_atomic_number_to_symbol_invalid ... ok
[INFO] [stdout] test basis::atom::tests::test_atomic_number_to_symbol_na_ar ... ok
[INFO] [stdout] test basis::atom::tests::test_is_supported_element_boundary ... ok
[INFO] [stdout] test basis::atom::tests::test_h2o_atoms ... ok
[INFO] [stdout] test basis::atom::tests::test_h2_system ... ok
[INFO] [stdout] test basis::atom::tests::test_symbol_to_atomic_number_case_insensitive ... ok
[INFO] [stdout] test basis::atom::tests::test_atomic_number_to_name_na_ar ... ok
[INFO] [stdout] test basis::atom::tests::test_symbol_to_atomic_number_case_insensitive_na_ar ... ok
[INFO] [stdout] test basis::atom::tests::test_symbol_to_atomic_number_na_ar ... ok
[INFO] [stdout] test basis::atom::tests::test_symbol_to_atomic_number_with_whitespace ... ok
[INFO] [stdout] test basis::builtin::tests::test_321g_cl ... ok
[INFO] [stdout] test basis::atom::tests::test_is_supported_element ... ok
[INFO] [stdout] test basis::builtin::tests::test_321g_c ... ok
[INFO] [stdout] test basis::builtin::tests::test_631g_h ... ok
[INFO] [stdout] test basis::builtin::tests::test_631g_p_element ... ok
[INFO] [stdout] test basis::builtin::tests::test_321g_h ... ok
[INFO] [stdout] test basis::builtin::tests::test_321g_na ... ok
[INFO] [stdout] test basis::builtin::tests::test_321g_si ... ok
[INFO] [stdout] test basis::builtin::tests::test_631gs_cl ... ok
[INFO] [stdout] test basis::builtin::tests::test_631pgs_al ... ok
[INFO] [stdout] test basis::builtin::tests::test_631pgs_ar ... ok
[INFO] [stdout] test basis::builtin::tests::test_631gs_si ... ok
[INFO] [stdout] test basis::builtin::tests::test_631pgs_h ... ok
[INFO] [stdout] test basis::builtin::tests::test_631pgs_o ... ok
[INFO] [stdout] test basis::builtin::tests::test_631pgs_basis_count_h2o ... ok
[INFO] [stdout] test basis::builtin::tests::test_631pgs_c ... ok
[INFO] [stdout] test basis::builtin::tests::test_631g_c ... ok
[INFO] [stdout] test basis::builtin::tests::test_631gs_o ... ok
[INFO] [stdout] test basis::builtin::tests::test_631gs_h ... ok
[INFO] [stdout] test basis::builtin::tests::test_631g_na ... ok
[INFO] [stdout] test basis::atom::tests::test_atom_from_symbol_na ... ok
[INFO] [stdout] test basis::builtin::tests::test_ccpvdz_alternate_names ... ok
[INFO] [stdout] test basis::builtin::tests::test_all_basis_sets_na_ar ... ok
[INFO] [stdout] test basis::builtin::tests::test_ccpvdz_basis_function_counts ... ok
[INFO] [stdout] test basis::builtin::tests::test_ccpvdz_c_d_exponent ... ok
[INFO] [stdout] test basis::builtin::tests::test_ccpvdz_c_shell_structure ... ok
[INFO] [stdout] test basis::atom::tests::test_symbol_to_atomic_number ... ok
[INFO] [stdout] test basis::builtin::tests::test_ccpvdz_general_contraction_exponents_match ... ok
[INFO] [stdout] test basis::atom::tests::test_symbol_to_atomic_number_unknown ... ok
[INFO] [stdout] test basis::builtin::tests::test_ccpvdz_h_has_p_polarization ... ok
[INFO] [stdout] test basis::builtin::tests::test_ccpvdz_h_shell_structure ... ok
[INFO] [stdout] test basis::builtin::tests::test_ccpvdz_in_supported_list ... ok
[INFO] [stdout] test basis::builtin::tests::test_ccpvdz_has_d_polarization ... ok
[INFO] [stdout] test basis::builtin::tests::test_ccpvdz_is_supported ... ok
[INFO] [stdout] test basis::builtin::tests::test_get_element_basis_unsupported_element ... ok
[INFO] [stdout] test basis::builtin::tests::test_ccpvdz_na_shell_structure ... ok
[INFO] [stdout] test basis::builtin::tests::test_ccpvdz_unsupported_element ... ok
[INFO] [stdout] test basis::builtin::tests::test_cl_631pgs_has_diffuse ... ok
[INFO] [stdout] test basis::builtin::tests::test_get_element_basis_c_sto3g ... ok
[INFO] [stdout] test basis::builtin::tests::test_cl_sto3g_1s_exponent ... ok
[INFO] [stdout] test basis::builtin::tests::test_get_element_basis_case_insensitive ... ok
[INFO] [stdout] test basis::builtin::tests::test_get_element_basis_o_sto3g ... ok
[INFO] [stdout] test basis::builtin::tests::test_ccpvdz_loads_all_elements ... ok
[INFO] [stdout] test basis::builtin::tests::test_h2_sto3g_basis_count ... ok
[INFO] [stdout] test basis::builtin::tests::test_h2o_sto3g_basis_count ... ok
[INFO] [stdout] test basis::builtin::tests::test_h2o_631gs_basis_count ... ok
[INFO] [stdout] test basis::builtin::tests::test_s_631pgs_diffuse_exponent ... ok
[INFO] [stdout] test basis::builtin::tests::test_get_element_basis_unknown ... ok
[INFO] [stdout] test basis::builtin::tests::test_si_631gs_d_exponent ... ok
[INFO] [stdout] test basis::builtin::tests::test_si_631gs_has_d ... ok
[INFO] [stdout] test basis::builtin::tests::test_sto3g_cl ... ok
[INFO] [stdout] test basis::builtin::tests::test_sto3g_ar ... ok
[INFO] [stdout] test basis::builtin::tests::test_supported_basis_sets ... ok
[INFO] [stdout] test basis::primitives::tests::test_angular_momentum_equality_and_hash ... ok
[INFO] [stdout] test basis::primitives::tests::test_angular_momentum_from_symbol ... ok
[INFO] [stdout] test basis::builtin::tests::test_na_sto3g_shell_types ... ok
[INFO] [stdout] test basis::primitives::tests::test_angular_momentum_from_l ... ok
[INFO] [stdout] test basis::primitives::tests::test_angular_momentum_l_value ... ok
[INFO] [stdout] test basis::primitives::tests::test_angular_momentum_serde ... ok
[INFO] [stdout] test basis::builtin::tests::test_sto3g_na ... ok
[INFO] [stdout] test basis::builtin::tests::test_sto3g_si ... ok
[INFO] [stdout] test basis::primitives::tests::test_angular_momentum_display ... ok
[INFO] [stdout] test basis::primitives::tests::test_angular_momentum_n_cartesian ... ok
[INFO] [stdout] test basis::primitives::tests::test_angular_momentum_n_spherical ... ok
[INFO] [stdout] test basis::builtin::tests::test_na_sto3g_1s_exponent ... ok
[INFO] [stdout] test basis::builtin::tests::test_is_supported_basis ... ok
[INFO] [stdout] test basis::primitives::tests::test_angular_momentum_spherical_vs_cartesian ... ok
[INFO] [stdout] test basis::primitives::tests::test_angular_momentum_symbol ... ok
[INFO] [stdout] test basis::primitives::tests::test_carbon_sto3g_valence_primitives ... ok
[INFO] [stdout] test basis::primitives::tests::test_gaussian_primitive_copy ... ok
[INFO] [stdout] test basis::primitives::tests::test_gaussian_primitive_creation ... ok
[INFO] [stdout] test basis::primitives::tests::test_gaussian_primitive_display ... ok
[INFO] [stdout] test basis::primitives::tests::test_gaussian_primitive_equality ... ok
[INFO] [stdout] test basis::primitives::tests::test_gaussian_primitive_is_valid ... ok
[INFO] [stdout] test basis::primitives::tests::test_hydrogen_sto3g_primitives ... ok
[INFO] [stdout] test basis::primitives::tests::test_gaussian_primitive_serde ... ok
[INFO] [stdout] test basis::radial::tests::test_auto_range_h_1s_sto3g ... ok
[INFO] [stdout] test basis::radial::tests::test_auto_range_uses_most_diffuse ... ok
[INFO] [stdout] test basis::radial::tests::test_auto_range_tight_exponent ... ok
[INFO] [stdout] test basis::radial::tests::test_auto_range_very_diffuse ... ok
[INFO] [stdout] test basis::radial::tests::test_contracted_equals_sum_of_primitives ... ok
[INFO] [stdout] test basis::radial::tests::test_d_type_zero_at_origin ... ok
[INFO] [stdout] test basis::radial::tests::test_contracted_equals_sum_p_type ... ok
[INFO] [stdout] test basis::radial::tests::test_exponents_preserved ... ok
[INFO] [stdout] test basis::radial::tests::test_h_1s_sto3g_at_multiple_r ... ok
[INFO] [stdout] test basis::radial::tests::test_h_1s_sto3g_at_origin ... ok
[INFO] [stdout] test basis::radial::tests::test_h_1s_sto3g_at_r1 ... ok
[INFO] [stdout] test basis::radial::tests::test_h_1s_sto3g_monotonic_decay ... ok
[INFO] [stdout] test basis::radial::tests::test_metadata_d_type ... ok
[INFO] [stdout] test basis::radial::tests::test_metadata_p_type ... ok
[INFO] [stdout] test basis::radial::tests::test_normalization_matches_integral_engine ... ok
[INFO] [stdout] test basis::radial::tests::test_normalization_various_alphas ... ok
[INFO] [stdout] test basis::radial::tests::test_output_dimensions ... ok
[INFO] [stdout] test basis::radial::tests::test_primitive_normalization_p_type ... ok
[INFO] [stdout] test basis::radial::tests::test_p_type_zero_at_origin ... ok
[INFO] [stdout] test basis::radial::tests::test_raw_coefficients_preserved ... ok
[INFO] [stdout] test basis::shells::tests::test_contracted_shell_creation ... ok
[INFO] [stdout] test basis::radial::tests::test_primitive_normalization_d_type ... ok
[INFO] [stdout] test basis::radial::tests::test_p_type_has_maximum ... ok
[INFO] [stdout] test basis::radial::tests::test_h_1s_sto3g_positive ... ok
[INFO] [stdout] test basis::radial::tests::test_serde_roundtrip ... ok
[INFO] [stdout] test basis::radial::tests::test_r_values_uniformly_spaced ... ok
[INFO] [stdout] test basis::radial::tests::test_primitive_normalization_s_type ... ok
[INFO] [stdout] test basis::radial::tests::test_r_values_start_at_zero ... ok
[INFO] [stdout] test basis::radial::tests::test_p_type_pyscf_crossvalidation ... ok
[INFO] [stdout] test basis::shells::tests::test_h2o_sto3g_shell_structure ... ok
[INFO] [stdout] test basis::shells::tests::test_shell_clone ... ok
[INFO] [stdout] test basis::shells::tests::test_shell_display ... ok
[INFO] [stdout] test basis::shells::tests::test_shell_is_valid ... ok
[INFO] [stdout] test basis::shells::tests::test_shell_coordinates ... ok
[INFO] [stdout] test basis::shells::tests::test_shell_l_value ... ok
[INFO] [stdout] test basis::shells::tests::test_shell_max_exponent ... ok
[INFO] [stdout] test basis::shells::tests::test_shell_min_exponent ... ok
[INFO] [stdout] test basis::shells::tests::test_shell_n_basis_functions ... ok
[INFO] [stdout] test basis::shells::tests::test_shell_n_primitives ... ok
[INFO] [stdout] test basis::shells::tests::test_shell_serde ... ok
[INFO] [stdout] test basis::shells::tests::test_shell_type_predicates ... ok
[INFO] [stdout] test basis::tests::test_basis_set_display ... ok
[INFO] [stdout] test basis::tests::test_basis_set_h2_sto3g ... ok
[INFO] [stdout] test basis::tests::test_basis_set_h2o_sto3g ... ok
[INFO] [stdout] test basis::tests::test_basis_set_heh_plus_sto3g ... ok
[INFO] [stdout] test basis::tests::test_basis_set_invalid_molecule ... ok
[INFO] [stdout] test basis::tests::test_basis_set_lih_sto3g ... ok
[INFO] [stdout] test basis::tests::test_basis_set_nh3_sto3g ... ok
[INFO] [stdout] test basis::radial::tests::test_r_values_end_at_r_max ... ok
[INFO] [stdout] test basis::tests::test_basis_set_serde ... ok
[INFO] [stdout] test basis::tests::test_basis_set_unknown_basis ... ok
[INFO] [stdout] test basis::tests::test_golden_h2_sto3g_counts ... ok
[INFO] [stdout] test basis::tests::test_golden_h2o_sto3g_counts ... ok
[INFO] [stdout] test basis::tests::test_max_angular_momentum ... ok
[INFO] [stdout] test basis::tests::test_nuclear_repulsion_h2 ... ok
[INFO] [stdout] test basis::tests::test_nuclear_repulsion_h2o ... ok
[INFO] [stdout] test basis::tests::test_nuclear_repulsion_heh_plus ... ok
[INFO] [stdout] test basis::tests::test_nuclear_repulsion_lih ... ok
[INFO] [stdout] test basis::tests::test_shell_basis_range ... ok
[INFO] [stdout] test boys::tests::test_boys_eval_all ... ok
[INFO] [stdout] test basis::tests::test_shells_for_atom ... ok
[INFO] [stdout] test boys::tests::test_get_turnover_point_public_function ... ok
[INFO] [stdout] test boys::tests::test_eval_all_metrics_consistency ... ok
[INFO] [stdout] test boys::tests::test_large_t_values ... ok
[INFO] [stdout] test basis::tests::test_nuclear_repulsion_nh3 ... ok
[INFO] [stdout] test boys::tests::test_monotonicity_in_m ... ok
[INFO] [stdout] test boys::tests::test_near_zero_method_metrics ... ok
[INFO] [stdout] test boys::tests::test_invalid_order ... ok
[INFO] [stdout] test boys::tests::test_negative_argument ... ok
[INFO] [stdout] test boys::tests::test_near_zero_argument ... ok
[INFO] [stdout] test boys::tests::test_eval_many_metrics_vary ... ok
[INFO] [stdout] test boys::tests::test_monotonicity_in_t ... ok
[INFO] [stdout] test boys::tests::test_full_reference_table ... ok
[INFO] [stdout] test boys::tests::test_boys_eval_many ... ok
[INFO] [stdout] test boys::tests::test_non_negativity ... ok
[INFO] [stdout] test boys::tests::test_recurrence_regime ... ok
[INFO] [stdout] test boys::tests::test_reference_m0 ... ok
[INFO] [stdout] test boys::tests::test_recurrence_relation ... ok
[INFO] [stdout] test boys::tests::test_reference_m10 ... ok
[INFO] [stdout] test boys::tests::test_reference_m5 ... ok
[INFO] [stdout] test boys::tests::test_recurrence_method_metrics ... ok
[INFO] [stdout] test boys::tests::test_series_regime ... ok
[INFO] [stdout] test boys::tests::test_turnover_in_batch_evaluation ... ok
[INFO] [stdout] test boys::tests::test_regime_boundary_continuity ... ok
[INFO] [stdout] test boys::tests::test_series_method_metrics ... ok
[INFO] [stdout] test boys::tests::test_series_terms_count_varies_with_t ... ok
[INFO] [stdout] test boys::tests::test_recurrence_terms_count_equals_m_plus_1 ... ok
[INFO] [stdout] test boys::tests::test_turnover_field_is_populated ... ok
[INFO] [stdout] test boys::tests::test_turnover_included_in_all_methods ... ok
[INFO] [stdout] test boys::tests::test_turnover_matches_libcint_values ... ok
[INFO] [stdout] test constants::tests::au_polarizability_to_ang3_matches_literature ... ok
[INFO] [stdout] test boys::tests::test_zero_argument ... ok
[INFO] [stdout] test boys::tests::test_zero_method_metrics ... ok
[INFO] [stdout] test boys::tests::version_exists ... ok
[INFO] [stdout] test constants::tests::au_to_hz_consistent ... ok
[INFO] [stdout] test constants::tests::au_to_kmmol_from_fundamental_constants ... ok
[INFO] [stdout] test constants::tests::amu_to_kg_consistent ... ok
[INFO] [stdout] test constants::tests::atomic_masses_coverage ... ok
[INFO] [stdout] test constants::tests::au_to_kmmol_matches_literature ... ok
[INFO] [stdout] test constants::tests::atomic_masses_known_values ... ok
[INFO] [stdout] test constants::tests::bohr4_to_ang4_matches_derivation ... ok
[INFO] [stdout] test constants::tests::bohr4_to_ang4_matches_literature ... ok
[INFO] [stdout] test constants::tests::au_to_cm1_consistent ... ok
[INFO] [stdout] test constants::tests::au_to_debye_matches_pyscf ... ok
[INFO] [stdout] test constants::tests::bohr_angstrom_consistency ... ok
[INFO] [stdout] test constants::tests::au_polarizability_to_ang3_matches_derivation ... ok
[INFO] [stdout] test constants::tests::bohr_si_consistent ... ok
[INFO] [stdout] test constants::tests::gas_constant_consistent ... ok
[INFO] [stdout] test constants::tests::hartree_to_joule_matches_pyscf ... ok
[INFO] [stdout] test constants::tests::constants_match_pyscf_nist ... ok
[INFO] [stdout] test constants::tests::hartree_to_wavenumber_matches_pyscf ... ok
[INFO] [stdout] test dft::dispersion::tests::bj_asymptotic_at_large_r ... ok
[INFO] [stdout] test dft::dispersion::tests::bj_damping_f8_formula ... ok
[INFO] [stdout] test dft::dispersion::tests::bj_damping_f6_formula ... ok
[INFO] [stdout] test dft::dispersion::tests::bj_finite_at_zero ... ok
[INFO] [stdout] test dft::dispersion::tests::bj_params_s8 ... ok
[INFO] [stdout] test dft::dispersion::tests::c6_cc_reasonable_value ... ok
[INFO] [stdout] test dft::dispersion::tests::c6_interpolation_with_gaussian_weighting ... ok
[INFO] [stdout] test dft::dispersion::tests::c6_hh_reasonable_value ... ok
[INFO] [stdout] test dft::dispersion::tests::c6_covalent_radii_h ... ok
[INFO] [stdout] test dft::dispersion::tests::c6_symmetric ... ok
[INFO] [stdout] test dft::dispersion::tests::bj_params_a2 ... ok
[INFO] [stdout] test dft::dispersion::tests::c8_from_c6_formula ... ok
[INFO] [stdout] test dft::dispersion::tests::ch4_coordination_numbers ... ok
[INFO] [stdout] test dft::dispersion::tests::cn_h2_approximately_one ... ok
[INFO] [stdout] test dft::dispersion::tests::bj_params_a1 ... ok
[INFO] [stdout] test dft::dispersion::tests::c6_covalent_radii_count ... ok
[INFO] [stdout] test dft::dispersion::tests::bj_params_s6 ... ok
[INFO] [stdout] test dft::dispersion::tests::d3_asymptotic_r6 ... ok
[INFO] [stdout] test dft::dispersion::tests::d3_energy_decreases_with_distance ... ok
[INFO] [stdout] test dft::dispersion::tests::cn_isolated_atom_zero ... ok
[INFO] [stdout] test dft::dispersion::tests::d3_formula_function_exists ... ok
[INFO] [stdout] test dft::dispersion::tests::d3_h2_energy_magnitude ... ok
[INFO] [stdout] test dft::dispersion::tests::d3_single_atom_zero ... ok
[INFO] [stdout] test dft::dispersion::tests::d3_h2_negative_energy ... ok
[INFO] [stdout] test dft::dispersion::tests::d3_symmetric_under_reordering ... ok
[INFO] [stdout] test dft::dispersion::tests::empty_molecule ... ok
[INFO] [stdout] test dft::dispersion::tests::d3_bj_damping_finite_at_zero ... ok
[INFO] [stdout] test dft::dispersion::tests::grad_h2_finite_difference ... ok
[INFO] [stdout] test dft::dispersion::tests::grad_magnitude_decreases_with_distance ... ok
[INFO] [stdout] test dft::dispersion::tests::grad_h2o_finite_difference ... ok
[INFO] [stdout] test dft::dispersion::tests::grad_diatomic_along_bond ... ok
[INFO] [stdout] test dft::dispersion::tests::gradient_with_larger_molecule ... ok
[INFO] [stdout] test dft::dispersion::tests::grad_diatomic_antisymmetric ... ok
[INFO] [stdout] test dft::dispersion::tests::heteronuclear_c6_data_present ... ok
[INFO] [stdout] test dft::dispersion::tests::ref_dispersion_always_stabilizing ... ok
[INFO] [stdout] test dft::dispersion::tests::grad_correct_shape ... ok
[INFO] [stdout] test dft::dispersion::tests::grad_single_atom_zero ... ok
[INFO] [stdout] test dft::dispersion::tests::grad_translational_invariance ... ok
[INFO] [stdout] test dft::dispersion::tests::q_values_tabulated ... ok
[INFO] [stdout] test dft::dispersion::tests::ref_h2_correct_magnitude ... ok
[INFO] [stdout] test dft::dispersion::tests::ref_h2_self_consistent ... ok
[INFO] [stdout] test dft::dispersion::tests::ref_h2o_pair_count ... ok
[INFO] [stdout] test dft::dispersion::tests::ref_h2o_correct_magnitude ... ok
[INFO] [stdout] test dft::functionals::tests::b3lyp_trait_interface ... ok
[INFO] [stdout] test dft::functionals::tests::b3lyp_uses_vwn5 ... ok
[INFO] [stdout] test dft::functionals::tests::b3lyp_mixing_coefficients ... ok
[INFO] [stdout] test dft::functionals::tests::lda_edge_cases ... ok
[INFO] [stdout] test dft::functionals::tests::becke88_golden_values ... ok
[INFO] [stdout] test dft::functionals::tests::becke88_reduces_to_slater_at_zero_gradient ... ok
[INFO] [stdout] test dft::functionals::tests::becke88_trait_interface ... ok
[INFO] [stdout] test dft::functionals::tests::becke88_zero_density ... ok
[INFO] [stdout] test dft::functionals::tests::dft_functional_enum ... ok
[INFO] [stdout] test dft::functionals::tests::becke88_eps_always_negative ... ok
[INFO] [stdout] test dft::functionals::tests::b3lyp_golden_values ... ok
[INFO] [stdout] test dft::functionals::tests::lda_golden_values ... ok
[INFO] [stdout] test dft::functionals::tests::lda_additivity ... ok
[INFO] [stdout] test dft::dispersion::tests::cn_h2o_oxygen_approximately_two ... ok
[INFO] [stdout] test dft::dispersion::tests::cn_counting_smooth ... ok
[INFO] [stdout] test dft::functionals::tests::lyp_golden_values ... ok
[INFO] [stdout] test dft::functionals::tests::lyp_trait_interface ... ok
[INFO] [stdout] test dft::functionals::tests::lyp_zero_density ... ok
[INFO] [stdout] test dft::functionals::tests::slater_below_threshold ... ok
[INFO] [stdout] test dft::functionals::tests::slater_cx_constant ... ok
[INFO] [stdout] test dft::functionals::tests::slater_eps_x_always_negative ... ok
[INFO] [stdout] test dft::functionals::tests::slater_four_thirds_relation ... ok
[INFO] [stdout] test dft::functionals::tests::slater_golden_values ... ok
[INFO] [stdout] test dft::functionals::tests::slater_monotonically_decreasing ... ok
[INFO] [stdout] test dft::functionals::tests::slater_scaling_relationship ... ok
[INFO] [stdout] test dft::functionals::tests::slater_v_x_always_negative ... ok
[INFO] [stdout] test dft::functionals::tests::slater_zero_density ... ok
[INFO] [stdout] test dft::functionals::tests::test_b3lyp_fxc ... ok
[INFO] [stdout] test dft::functionals::tests::test_becke88_fxc ... ok
[INFO] [stdout] test dft::functionals::tests::slice_matches_pointwise ... ok
[INFO] [stdout] test dft::functionals::tests::test_fxc_finite_diff ... ok
[INFO] [stdout] test dft::functionals::tests::test_fxc_low_density_guard ... ok
[INFO] [stdout] test dft::functionals::tests::test_lda_fxc ... ok
[INFO] [stdout] test dft::dispersion::tests::cn_saturates_for_bonded ... ok
[INFO] [stdout] test dft::functionals::tests::test_lyp_fxc ... ok
[INFO] [stdout] test dft::functionals::tests::test_slater_fxc ... ok
[INFO] [stdout] test dft::functionals::tests::test_vwn5_fxc ... ok
[INFO] [stdout] test dft::functionals::tests::trait_hf_exchange_fraction ... ok
[INFO] [stdout] test dft::functionals::tests::trait_name ... ok
[INFO] [stdout] test dft::functionals::tests::trait_needs_gradient ... ok
[INFO] [stdout] test dft::functionals::tests::vwn5_a_parameter ... ok
[INFO] [stdout] test dft::functionals::tests::vwn5_below_threshold ... ok
[INFO] [stdout] test dft::functionals::tests::vwn5_derivative_consistency ... ok
[INFO] [stdout] test dft::functionals::tests::vwn5_eps_c_always_negative ... ok
[INFO] [stdout] test dft::functionals::tests::vwn5_golden_values ... ok
[INFO] [stdout] test dft::functionals::tests::vwn5_q_constant ... ok
[INFO] [stdout] test dft::functionals::tests::vwn5_x_x0_constant ... ok
[INFO] [stdout] test dft::functionals::tests::vwn5_zero_density ... ok
[INFO] [stdout] test dft::grid::tests::test_becke_partition_sum_to_one ... ok
[INFO] [stdout] test dft::grid::tests::test_becke_single_atom ... ok
[INFO] [stdout] test dft::grid::tests::test_becke_step_function ... ok
[INFO] [stdout] test dft::grid::tests::test_becke_two_atoms_midpoint ... ok
[INFO] [stdout] test dft::grid::tests::test_becke_two_atoms_near_atom_a ... ok
[INFO] [stdout] test dft::grid::tests::test_mura_knowles_h_75_points ... ok
[INFO] [stdout] test dft::grid::tests::test_mura_knowles_o_pyscf_reference ... ok
[INFO] [stdout] test dft::grid::tests::test_sg1_prune_h_pyscf_pattern ... ok
[INFO] [stdout] test dft::grid::tests::test_mura_knowles_monotonic ... ok
[INFO] [stdout] test dft::grid::tests::test_mura_knowles_li_scaling ... ok
[INFO] [stdout] test dft::grid::tests::test_mura_knowles_pyscf_reference ... ok
[INFO] [stdout] test dft::grid::tests::test_grid_structure_single_atom ... ok
[INFO] [stdout] test dft::grid::tests::test_sg1_prune_h_reduction ... ok
[INFO] [stdout] test dft::grid::tests::test_sg1_prune_no_pruning_gives_uniform ... ok
[INFO] [stdout] test dft::grid::tests::test_sg1_prune_o_pyscf_pattern ... ok
[INFO] [stdout] test dft::ks_scf::tests::test_basis_function_normalization ... ok
[INFO] [stdout] test dft::grid::tests::test_grid_no_pruning ... ok
[INFO] [stdout] test dft::grid::tests::test_grid_weight_sum_positive ... ok
[INFO] [stdout] test dft::grid::tests::test_grid_structure_h2 ... ok
[INFO] [stdout] test dft::grid::tests::test_grid_structure_h2o ... ok
[INFO] [stdout] test basis::builtin::tests::test_get_element_basis_h_sto3g ... ok
[INFO] [stdout] test dft::grid::tests::test_grid_fine_quality ... ok
[INFO] [stdout] test dft::grid::tests::test_h2_integrated_density ... ok
[INFO] [stdout] test dft::ks_scf::tests::test_b3lyp_exc_at_rhf_density ... ok
[INFO] [stdout] test dft::grid::tests::test_sg1_prune_near_nucleus ... ok
[INFO] [stdout] test basis::builtin::tests::test_631gs_c ... ok
[INFO] [stdout] test dft::grid::tests::test_h2o_grid_generation_performance ... ok
[INFO] [stdout] test dft::ks_scf::tests::test_grid_density_integrates_to_nelec ... ok
[INFO] [stdout] test dft::ks_scf::tests::test_energy_decomposition_consistency ... ok
[INFO] [stdout] test dft::ks_scf::tests::test_h2_lda_energy ... ok
[INFO] [stdout] test dft::ks_scf::tests::test_h2_lda_iteration_count ... ok
[INFO] [stdout] test dft::ks_scf::tests::test_h2_rhf_631gs_energy ... ok
[INFO] [stdout] test dft::grid::tests::test_h2o_integrated_density ... ok
[INFO] [stdout] test dft::ks_scf::tests::test_h2_b3lyp_energy ... ok
[INFO] [stdout] test dft::ks_scf::tests::test_ch4_rhf_sto3g_energy ... ok
[INFO] [stdout] test dft::ks_scf::tests::test_h2_lda_631gs_energy ... ok
[INFO] [stdout] test dft::ks_scf::tests::test_grid_density_cart_vs_sph ... ok
[INFO] [stdout] test dft::ks_scf::tests::test_h2o_lda_energy ... ok
[INFO] [stdout] test dft::ks_scf::tests::test_h2o_rhf_631gs_energy ... ok
[INFO] [stdout] test dft::ks_scf::tests::test_h2o_rhf_sto3g_energy ... ok
[INFO] [stdout] test dft::ks_scf::tests::test_ch4_rhf_631gs_energy ... ok
[INFO] [stdout] test dft::ks_scf::tests::test_hf_mol_lda_sto3g_energy ... ok
[INFO] [stdout] test dft::ks_scf::tests::test_ch4_lda_sto3g_energy ... ok
[INFO] [stdout] test dft::ks_scf::tests::test_hf_mol_rhf_sto3g_energy ... ok
[INFO] [stdout] test dft::ks_scf::tests::test_hf_mol_lda_631gs_energy ... ok
[INFO] [stdout] test dft::ks_scf::tests::test_level_shift_function_correctness ... ok
[INFO] [stdout] test dft::ks_scf::tests::test_hf_mol_rhf_631gs_energy ... ok
[INFO] [stdout] test dft::ks_scf::tests::test_method_identifier ... ok
[INFO] [stdout] test dft::ks_scf::tests::test_energy_decomposition_all_lda ... ok
[INFO] [stderr] error: test failed, to rerun pass `-p qc-core --lib`
[INFO] [stderr] 
[INFO] [stderr] Caused by:
[INFO] [stderr]   process didn't exit successfully: `/opt/rustwide/target/debug/deps/qc_core-a4fe6cad9290d487` (signal: 9, SIGKILL: kill)
[INFO] running `Command { std: "docker" "inspect" "31fb070f2336b03b9a84ee6325a8aab5e6f65c5a3a16f68591adb2cdbf162592", kill_on_drop: false }`
[INFO] running `Command { std: "docker" "rm" "-f" "31fb070f2336b03b9a84ee6325a8aab5e6f65c5a3a16f68591adb2cdbf162592", kill_on_drop: false }`
[INFO] [stdout] 31fb070f2336b03b9a84ee6325a8aab5e6f65c5a3a16f68591adb2cdbf162592
