[INFO] fetching crate xtb-model 0.0.6... [INFO] checking xtb-model-0.0.6 against try#ccf408f4326a858c00dd845a64a86b16f360a801 for pr-129466-2 [INFO] extracting crate xtb-model 0.0.6 into /workspace/builds/worker-7-tc2/source [INFO] validating manifest of crates.io crate xtb-model 0.0.6 on toolchain ccf408f4326a858c00dd845a64a86b16f360a801 [INFO] running `Command { std: CARGO_HOME="/workspace/cargo-home" RUSTUP_HOME="/workspace/rustup-home" "/workspace/cargo-home/bin/cargo" "+ccf408f4326a858c00dd845a64a86b16f360a801" "metadata" "--manifest-path" "Cargo.toml" "--no-deps", kill_on_drop: false }` [INFO] started tweaking crates.io crate xtb-model 0.0.6 [INFO] finished tweaking crates.io crate xtb-model 0.0.6 [INFO] tweaked toml for crates.io crate xtb-model 0.0.6 written to /workspace/builds/worker-7-tc2/source/Cargo.toml [INFO] running `Command { std: CARGO_HOME="/workspace/cargo-home" RUSTUP_HOME="/workspace/rustup-home" "/workspace/cargo-home/bin/cargo" "+ccf408f4326a858c00dd845a64a86b16f360a801" "generate-lockfile" "--manifest-path" "Cargo.toml", kill_on_drop: false }` [INFO] [stderr] Updating crates.io index [INFO] [stderr] Locking 62 packages to latest compatible versions [INFO] [stderr] Adding bindgen v0.59.2 (available: v0.70.1) [INFO] [stderr] Adding bitflags v1.3.2 (available: v2.6.0) [INFO] [stderr] Adding clap v2.34.0 (available: v4.5.18) [INFO] [stderr] Adding env_logger v0.9.3 (available: v0.11.5) [INFO] [stderr] Adding hermit-abi v0.1.19 (available: v0.4.0) [INFO] [stderr] Adding linux-raw-sys v0.4.14 (available: v0.6.5) [INFO] [stderr] Adding peeking_take_while v0.1.2 (available: v1.0.0) [INFO] [stderr] Adding rustc-hash v1.1.0 (available: v2.0.0) [INFO] [stderr] Adding strsim v0.8.0 (available: v0.11.1) [INFO] [stderr] Adding textwrap v0.11.0 (available: v0.16.1) [INFO] [stderr] Adding unicode-width v0.1.14 (available: v0.2.0) [INFO] [stderr] Adding which v4.4.2 (available: v6.0.3) [INFO] [stderr] Adding windows-sys v0.52.0 (available: v0.59.0) [INFO] running `Command { std: CARGO_HOME="/workspace/cargo-home" RUSTUP_HOME="/workspace/rustup-home" "/workspace/cargo-home/bin/cargo" "+ccf408f4326a858c00dd845a64a86b16f360a801" "fetch" "--manifest-path" "Cargo.toml", kill_on_drop: false }` [INFO] running `Command { std: "docker" "create" "-v" "/var/lib/crater-agent-workspace/builds/worker-7-tc2/target:/opt/rustwide/target:rw,Z" "-v" "/var/lib/crater-agent-workspace/builds/worker-7-tc2/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:ceb6ea022f8a89cebbe621bb4987e73a935bd40dfbb726f832cfff4742a5b95a" "/opt/rustwide/cargo-home/bin/cargo" "+ccf408f4326a858c00dd845a64a86b16f360a801" "metadata" "--no-deps" "--format-version=1", kill_on_drop: false }` [INFO] [stdout] 3aea8c8a8e9ecb77fa5a47b7ee9516bc0b082157e7cd8751d5db9493a8a49ed0 [INFO] running `Command { std: "docker" "start" "-a" "3aea8c8a8e9ecb77fa5a47b7ee9516bc0b082157e7cd8751d5db9493a8a49ed0", kill_on_drop: false }` [INFO] running `Command { std: "docker" "inspect" "3aea8c8a8e9ecb77fa5a47b7ee9516bc0b082157e7cd8751d5db9493a8a49ed0", kill_on_drop: false }` [INFO] running `Command { std: "docker" "rm" "-f" "3aea8c8a8e9ecb77fa5a47b7ee9516bc0b082157e7cd8751d5db9493a8a49ed0", kill_on_drop: false }` [INFO] [stdout] 3aea8c8a8e9ecb77fa5a47b7ee9516bc0b082157e7cd8751d5db9493a8a49ed0 [INFO] running `Command { std: "docker" "create" "-v" "/var/lib/crater-agent-workspace/builds/worker-7-tc2/target:/opt/rustwide/target:rw,Z" "-v" "/var/lib/crater-agent-workspace/builds/worker-7-tc2/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:ceb6ea022f8a89cebbe621bb4987e73a935bd40dfbb726f832cfff4742a5b95a" "/opt/rustwide/cargo-home/bin/cargo" "+ccf408f4326a858c00dd845a64a86b16f360a801" "check" "--frozen" "--all" "--all-targets" "--message-format=json", kill_on_drop: false }` [INFO] [stdout] 22dc95e9e9a4a3f34ce43536891ea2ba1ff1b0b39dd6a6fbd3b16bba5987870f [INFO] running `Command { std: "docker" "start" "-a" "22dc95e9e9a4a3f34ce43536891ea2ba1ff1b0b39dd6a6fbd3b16bba5987870f", kill_on_drop: false }` [INFO] [stderr] Copying to /tmp/fixit [INFO] [stderr] Running `cargo fix --edition` [INFO] [stderr] Migrating Cargo.toml from 2021 edition to 2024 [INFO] [stderr] Compiling memchr v2.7.4 [INFO] [stderr] Compiling libc v0.2.159 [INFO] [stderr] Compiling glob v0.3.1 [INFO] [stderr] Compiling regex-syntax v0.8.4 [INFO] [stderr] Compiling rustix v0.38.37 [INFO] [stderr] Compiling proc-macro2 v1.0.86 [INFO] [stderr] Compiling bitflags v2.6.0 [INFO] [stderr] Compiling unicode-ident v1.0.13 [INFO] [stderr] Compiling minimal-lexical v0.2.1 [INFO] [stderr] Compiling linux-raw-sys v0.4.14 [INFO] [stderr] Compiling unicode-width v0.1.14 [INFO] [stderr] Compiling vec_map v0.8.2 [INFO] [stderr] Compiling strsim v0.8.0 [INFO] [stderr] Compiling termcolor v1.4.1 [INFO] [stderr] Compiling home v0.5.9 [INFO] [stderr] Compiling libloading v0.8.5 [INFO] [stderr] Compiling humantime v2.1.0 [INFO] [stderr] Compiling either v1.13.0 [INFO] [stderr] Compiling bitflags v1.3.2 [INFO] [stderr] Compiling log v0.4.22 [INFO] [stderr] Compiling bindgen v0.59.2 [INFO] [stderr] Compiling textwrap v0.11.0 [INFO] [stderr] Compiling ansi_term v0.12.1 [INFO] [stderr] Compiling autocfg v1.3.0 [INFO] [stderr] Compiling lazy_static v1.5.0 [INFO] [stderr] Compiling shlex v1.3.0 [INFO] [stderr] Compiling peeking_take_while v0.1.2 [INFO] [stderr] Compiling rustc-hash v1.1.0 [INFO] [stderr] Compiling lazycell v1.3.0 [INFO] [stderr] Compiling anyhow v1.0.89 [INFO] [stderr] Compiling clang-sys v1.8.1 [INFO] [stderr] Compiling num-traits v0.2.19 [INFO] [stderr] Compiling aho-corasick v1.1.3 [INFO] [stderr] Compiling nom v7.1.3 [INFO] [stderr] Compiling quote v1.0.37 [INFO] [stderr] Compiling atty v0.2.14 [INFO] [stderr] Compiling clap v2.34.0 [INFO] [stderr] Checking approx v0.5.1 [INFO] [stderr] Compiling regex-automata v0.4.7 [INFO] [stderr] Compiling which v4.4.2 [INFO] [stderr] Compiling cexpr v0.6.0 [INFO] [stderr] Compiling regex v1.10.6 [INFO] [stderr] Compiling env_logger v0.9.3 [INFO] [stderr] Compiling xtb-model v0.0.6 (/tmp/fixit) [INFO] [stderr] Migrating build.rs from 2021 edition to 2024 [INFO] [stderr] Migrating src/lib.rs from 2021 edition to 2024 [INFO] [stderr] Fixed src/xtb.rs (1 fix) [INFO] [stderr] Fixed /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs (39 fixes) [INFO] [stderr] Fixed src/raw.rs (1 fix) [INFO] [stdout] warning: unreachable pattern [INFO] [stdout] --> src/raw.rs:149:17 [INFO] [stdout] | [INFO] [stdout] 149 | _ => unimplemented!(), [INFO] [stdout] | ^ no value can reach this [INFO] [stdout] | [INFO] [stdout] note: multiple earlier patterns match some of the same values [INFO] [stdout] --> src/raw.rs:149:17 [INFO] [stdout] | [INFO] [stdout] 145 | XtbMethod::GFNFF => xtb_loadGFNFF(env, mol, calc, std::ptr::null_mut()), [INFO] [stdout] | ---------------- matches some of the same values [INFO] [stdout] 146 | XtbMethod::GFN0xTB => xtb_loadGFN0xTB(env, mol, calc, std::ptr::null_mut()), [INFO] [stdout] | ------------------ matches some of the same values [INFO] [stdout] 147 | XtbMethod::GFN1xTB => xtb_loadGFN1xTB(env, mol, calc, std::ptr::null_mut()), [INFO] [stdout] | ------------------ matches some of the same values [INFO] [stdout] 148 | XtbMethod::GFN2xTB => xtb_loadGFN2xTB(env, mol, calc, std::ptr::null_mut()), [INFO] [stdout] | ------------------ matches some of the same values [INFO] [stdout] 149 | _ => unimplemented!(), [INFO] [stdout] | ^ collectively making this unreachable [INFO] [stdout] = note: `#[warn(unreachable_patterns)]` on by default [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: unused variable: `m` [INFO] [stdout] --> src/xtb.rs:237:9 [INFO] [stdout] | [INFO] [stdout] 237 | let m: XtbMethod= "gfn-xtb".into(); [INFO] [stdout] | ^ help: if this is intentional, prefix it with an underscore: `_m` [INFO] [stdout] | [INFO] [stdout] = note: `#[warn(unused_variables)]` on by default [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: constant `XTB_VERSION_6_3_0` is never used [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:53 [INFO] [stdout] | [INFO] [stdout] 3 | pub const XTB_API_VERSION : u32 = 10000 ; pub const XTB_VERSION_6_3_0 : u32 = 1 ; pub const XTB_VERSION_6_3_1 : u32 = 1 ; pub const XTB_V... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^ [INFO] [stdout] | [INFO] [stdout] = note: `#[warn(dead_code)]` on by default [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: constant `XTB_VERSION_6_3_1` is never used [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:93 [INFO] [stdout] | [INFO] [stdout] 3 | pub const XTB_API_VERSION : u32 = 10000 ; pub const XTB_VERSION_6_3_0 : u32 = 1 ; pub const XTB_VERSION_6_3_1 : u32 = 1 ; pub const XTB_V... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: constant `XTB_VERSION_6_3_2` is never used [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:133 [INFO] [stdout] | [INFO] [stdout] 3 | ...2 = 1 ; pub const XTB_VERSION_6_3_1 : u32 = 1 ; pub const XTB_VERSION_6_3_2 : u32 = 1 ; pub const XTB_VERSION_6_3_3 : u32 = 1 ; pub co... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: constant `XTB_VERSION_6_3_3` is never used [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:173 [INFO] [stdout] | [INFO] [stdout] 3 | ...2 = 1 ; pub const XTB_VERSION_6_3_2 : u32 = 1 ; pub const XTB_VERSION_6_3_3 : u32 = 1 ; pub const XTB_VERBOSITY_FULL : u32 = 2 ; pub c... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: constant `true_` is never used [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:340 [INFO] [stdout] | [INFO] [stdout] 3 | ...: u32 = 1 ; pub const XTB_VERBOSITY_MUTED : u32 = 0 ; pub const true_ : u32 = 1 ; pub const false_ : u32 = 0 ; pub const __bool_true_f... [INFO] [stdout] | ^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: constant `false_` is never used [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:368 [INFO] [stdout] | [INFO] [stdout] 3 | ...RBOSITY_MUTED : u32 = 0 ; pub const true_ : u32 = 1 ; pub const false_ : u32 = 0 ; pub const __bool_true_false_are_defined : u32 = 1 ;... [INFO] [stdout] | ^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: function `xtb_getError` is never used [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:2040 [INFO] [stdout] | [INFO] [stdout] 3 | ...xtern "C" { # [doc = " Return and empty error stack"] pub fn xtb_getError (arg1 : xtb_TEnvironment , arg2 : * mut :: std :: os :: raw ... [INFO] [stdout] | ^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: function `xtb_setOutput` is never used [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:2248 [INFO] [stdout] | [INFO] [stdout] 3 | ..."C" { # [doc = " Bind output from this environment"] pub fn xtb_setOutput (arg1 : xtb_TEnvironment , arg2 : * const :: std :: os :: ra... [INFO] [stdout] | ^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: function `xtb_releaseOutput` is never used [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:2421 [INFO] [stdout] | [INFO] [stdout] 3 | ...oc = " Release output unit from this environment"] pub fn xtb_releaseOutput (arg1 : xtb_TEnvironment) ; } unsafe extern "C" { # [doc =... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: function `xtb_setSolvent` is never used [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:4504 [INFO] [stdout] | [INFO] [stdout] 3 | ...el to calculator (requires loaded parametrisation)"] pub fn xtb_setSolvent (arg1 : xtb_TEnvironment , arg2 : xtb_TCalculator , arg3 : ... [INFO] [stdout] | ^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: function `xtb_releaseSolvent` is never used [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:4792 [INFO] [stdout] | [INFO] [stdout] 3 | ...xtern "C" { # [doc = " Unset the solvation model"] pub fn xtb_releaseSolvent (arg1 : xtb_TEnvironment , arg2 : xtb_TCalculator) ; } un... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: function `xtb_setExternalCharges` is never used [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:4983 [INFO] [stdout] | [INFO] [stdout] 3 | ...l to calculator (only supported in GFN1/2-xTB)"] pub fn xtb_setExternalCharges (arg1 : xtb_TEnvironment , arg2 : xtb_TCalculator , arg... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: function `xtb_releaseExternalCharges` is never used [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:5263 [INFO] [stdout] | [INFO] [stdout] 3 | ...[doc = " Unset the external charge potential"] pub fn xtb_releaseExternalCharges (arg1 : xtb_TEnvironment , arg2 : xtb_TCalculator) ; ... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: function `xtb_copyResults` is never used [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:6473 [INFO] [stdout] | [INFO] [stdout] 3 | ...= " Create copy from a singlepoint results object"] pub fn xtb_copyResults (arg1 : xtb_TResults) -> xtb_TResults ; } unsafe extern "C"... [INFO] [stdout] | ^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: fields `atom_types` and `periodic` are never read [INFO] [stdout] --> src/xtb.rs:123:5 [INFO] [stdout] | [INFO] [stdout] 121 | pub struct XtbModel { [INFO] [stdout] | -------- fields in this struct [INFO] [stdout] 122 | params: XtbParameters, [INFO] [stdout] 123 | atom_types: Vec, [INFO] [stdout] | ^^^^^^^^^^ [INFO] [stdout] ... [INFO] [stdout] 126 | periodic: [bool; 3], [INFO] [stdout] | ^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: function `test_xtb_method_into_panic` is never used [INFO] [stdout] --> src/xtb.rs:236:4 [INFO] [stdout] | [INFO] [stdout] 236 | fn test_xtb_method_into_panic() { [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: 18 warnings emitted [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: unreachable pattern [INFO] [stdout] --> src/raw.rs:149:17 [INFO] [stdout] | [INFO] [stdout] 149 | _ => unimplemented!(), [INFO] [stdout] | ^ no value can reach this [INFO] [stdout] | [INFO] [stdout] note: multiple earlier patterns match some of the same values [INFO] [stdout] --> src/raw.rs:149:17 [INFO] [stdout] | [INFO] [stdout] 145 | XtbMethod::GFNFF => xtb_loadGFNFF(env, mol, calc, std::ptr::null_mut()), [INFO] [stdout] | ---------------- matches some of the same values [INFO] [stdout] 146 | XtbMethod::GFN0xTB => xtb_loadGFN0xTB(env, mol, calc, std::ptr::null_mut()), [INFO] [stdout] | ------------------ matches some of the same values [INFO] [stdout] 147 | XtbMethod::GFN1xTB => xtb_loadGFN1xTB(env, mol, calc, std::ptr::null_mut()), [INFO] [stdout] | ------------------ matches some of the same values [INFO] [stdout] 148 | XtbMethod::GFN2xTB => xtb_loadGFN2xTB(env, mol, calc, std::ptr::null_mut()), [INFO] [stdout] | ------------------ matches some of the same values [INFO] [stdout] 149 | _ => unimplemented!(), [INFO] [stdout] | ^ collectively making this unreachable [INFO] [stdout] = note: `#[warn(unreachable_patterns)]` on by default [INFO] [stdout] [INFO] [stdout] [INFO] [stderr] Migrating tests/test_3d.rs from 2021 edition to 2024 [INFO] [stdout] warning: unused variable: `m` [INFO] [stdout] --> src/xtb.rs:237:9 [INFO] [stdout] | [INFO] [stdout] 237 | let m: XtbMethod= "gfn-xtb".into(); [INFO] [stdout] | ^ help: if this is intentional, prefix it with an underscore: `_m` [INFO] [stdout] | [INFO] [stdout] = note: `#[warn(unused_variables)]` on by default [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: constant `XTB_VERSION_6_3_0` is never used [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:53 [INFO] [stdout] | [INFO] [stdout] 3 | pub const XTB_API_VERSION : u32 = 10000 ; pub const XTB_VERSION_6_3_0 : u32 = 1 ; pub const XTB_VERSION_6_3_1 : u32 = 1 ; pub const XTB_V... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^ [INFO] [stdout] | [INFO] [stdout] = note: `#[warn(dead_code)]` on by default [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: constant `XTB_VERSION_6_3_1` is never used [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:93 [INFO] [stdout] | [INFO] [stdout] 3 | pub const XTB_API_VERSION : u32 = 10000 ; pub const XTB_VERSION_6_3_0 : u32 = 1 ; pub const XTB_VERSION_6_3_1 : u32 = 1 ; pub const XTB_V... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: constant `XTB_VERSION_6_3_2` is never used [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:133 [INFO] [stdout] | [INFO] [stdout] 3 | ...2 = 1 ; pub const XTB_VERSION_6_3_1 : u32 = 1 ; pub const XTB_VERSION_6_3_2 : u32 = 1 ; pub const XTB_VERSION_6_3_3 : u32 = 1 ; pub co... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: constant `XTB_VERSION_6_3_3` is never used [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:173 [INFO] [stdout] | [INFO] [stdout] 3 | ...2 = 1 ; pub const XTB_VERSION_6_3_2 : u32 = 1 ; pub const XTB_VERSION_6_3_3 : u32 = 1 ; pub const XTB_VERBOSITY_FULL : u32 = 2 ; pub c... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: constant `true_` is never used [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:340 [INFO] [stdout] | [INFO] [stdout] 3 | ...: u32 = 1 ; pub const XTB_VERBOSITY_MUTED : u32 = 0 ; pub const true_ : u32 = 1 ; pub const false_ : u32 = 0 ; pub const __bool_true_f... [INFO] [stdout] | ^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: constant `false_` is never used [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:368 [INFO] [stdout] | [INFO] [stdout] 3 | ...RBOSITY_MUTED : u32 = 0 ; pub const true_ : u32 = 1 ; pub const false_ : u32 = 0 ; pub const __bool_true_false_are_defined : u32 = 1 ;... [INFO] [stdout] | ^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: function `xtb_getError` is never used [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:2040 [INFO] [stdout] | [INFO] [stdout] 3 | ...xtern "C" { # [doc = " Return and empty error stack"] pub fn xtb_getError (arg1 : xtb_TEnvironment , arg2 : * mut :: std :: os :: raw ... [INFO] [stdout] | ^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: function `xtb_setOutput` is never used [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:2248 [INFO] [stdout] | [INFO] [stdout] 3 | ..."C" { # [doc = " Bind output from this environment"] pub fn xtb_setOutput (arg1 : xtb_TEnvironment , arg2 : * const :: std :: os :: ra... [INFO] [stdout] | ^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: function `xtb_releaseOutput` is never used [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:2421 [INFO] [stdout] | [INFO] [stdout] 3 | ...oc = " Release output unit from this environment"] pub fn xtb_releaseOutput (arg1 : xtb_TEnvironment) ; } unsafe extern "C" { # [doc =... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: function `xtb_setSolvent` is never used [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:4504 [INFO] [stdout] | [INFO] [stdout] 3 | ...el to calculator (requires loaded parametrisation)"] pub fn xtb_setSolvent (arg1 : xtb_TEnvironment , arg2 : xtb_TCalculator , arg3 : ... [INFO] [stdout] | ^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: function `xtb_releaseSolvent` is never used [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:4792 [INFO] [stdout] | [INFO] [stdout] 3 | ...xtern "C" { # [doc = " Unset the solvation model"] pub fn xtb_releaseSolvent (arg1 : xtb_TEnvironment , arg2 : xtb_TCalculator) ; } un... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: function `xtb_setExternalCharges` is never used [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:4983 [INFO] [stdout] | [INFO] [stdout] 3 | ...l to calculator (only supported in GFN1/2-xTB)"] pub fn xtb_setExternalCharges (arg1 : xtb_TEnvironment , arg2 : xtb_TCalculator , arg... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: function `xtb_releaseExternalCharges` is never used [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:5263 [INFO] [stdout] | [INFO] [stdout] 3 | ...[doc = " Unset the external charge potential"] pub fn xtb_releaseExternalCharges (arg1 : xtb_TEnvironment , arg2 : xtb_TCalculator) ; ... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: function `xtb_copyResults` is never used [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:6473 [INFO] [stdout] | [INFO] [stdout] 3 | ...= " Create copy from a singlepoint results object"] pub fn xtb_copyResults (arg1 : xtb_TResults) -> xtb_TResults ; } unsafe extern "C"... [INFO] [stdout] | ^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: fields `atom_types` and `periodic` are never read [INFO] [stdout] --> src/xtb.rs:123:5 [INFO] [stdout] | [INFO] [stdout] 121 | pub struct XtbModel { [INFO] [stdout] | -------- fields in this struct [INFO] [stdout] 122 | params: XtbParameters, [INFO] [stdout] 123 | atom_types: Vec, [INFO] [stdout] | ^^^^^^^^^^ [INFO] [stdout] ... [INFO] [stdout] 126 | periodic: [bool; 3], [INFO] [stdout] | ^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: function `test_xtb_method_into_panic` is never used [INFO] [stdout] --> src/xtb.rs:236:4 [INFO] [stdout] | [INFO] [stdout] 236 | fn test_xtb_method_into_panic() { [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: 18 warnings emitted [INFO] [stdout] [INFO] [stdout] [INFO] [stderr] Migrating tests/test_raw.rs from 2021 edition to 2024 [INFO] [stdout] warning: unused `std::result::Result` that must be used [INFO] [stdout] --> tests/test_3d.rs:43:5 [INFO] [stdout] | [INFO] [stdout] 43 | env.set_output_verbose(); [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] | [INFO] [stdout] = note: this `Result` may be an `Err` variant, which should be handled [INFO] [stdout] = note: `#[warn(unused_must_use)]` on by default [INFO] [stdout] help: use `let _ = ...` to ignore the resulting value [INFO] [stdout] | [INFO] [stdout] 43 | let _ = env.set_output_verbose(); [INFO] [stdout] | +++++++ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: 1 warning emitted [INFO] [stdout] [INFO] [stdout] [INFO] [stderr] Migrating tests/test_model.rs from 2021 edition to 2024 [INFO] [stderr] Finished `dev` profile [unoptimized + debuginfo] target(s) in 6.43s [INFO] [stderr] Running `cargo check` to verify 2024 [INFO] [stderr] Compiling xtb-model v0.0.6 (/tmp/fixit) [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:1205 [INFO] [stdout] | [INFO] [stdout] 3 | ... ; extern "C" { # [doc = " Returns API version as 10000 * major + 100 * minor + 1 * patch"] pub fn xtb_getAPIVersion () -> :: std :: os :: raw :: c_int ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:1358 [INFO] [stdout] | [INFO] [stdout] 3 | ... ; } extern "C" { # [doc = " Create new xtb calculation environment object"] pub fn xtb_newEnvironment () -> xtb_TEnvironment ; } exte... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:1483 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Delete a xtb calculation environment object"] pub fn xtb_delEnvironment (arg1 : * mut xtb_TEnvironment) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:1615 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Check current status of calculation environment"] pub fn xtb_checkEnvironment (arg1 : xtb_TEnvironment) -> :: std :: os :: raw :: c_int ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:1205 [INFO] [stdout] | [INFO] [stdout] 3 | ... ; extern "C" { # [doc = " Returns API version as 10000 * major + 100 * minor + 1 * patch"] pub fn xtb_getAPIVersion () -> :: std :: os :: raw :: c_int ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:1779 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Show and empty error stack"] pub fn xtb_showEnvironment (arg1 : xtb_TEnvironment , arg2 : * const :: std :: os :: raw :: c_char) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:1358 [INFO] [stdout] | [INFO] [stdout] 3 | ... ; } extern "C" { # [doc = " Create new xtb calculation environment object"] pub fn xtb_newEnvironment () -> xtb_TEnvironment ; } exte... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:1936 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Return and empty error stack"] pub fn xtb_getError (arg1 : xtb_TEnvironment , arg2 : * mut :: std :: os :: raw :: c_char , arg3 : * const :: std :: os :: raw :: c_int) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:1483 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Delete a xtb calculation environment object"] pub fn xtb_delEnvironment (arg1 : * mut xtb_TEnvironment) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:2132 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Bind output from this environment"] pub fn xtb_setOutput (arg1 : xtb_TEnvironment , arg2 : * const :: std :: os :: raw :: c_char) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:1615 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Check current status of calculation environment"] pub fn xtb_checkEnvironment (arg1 : xtb_TEnvironment) -> :: std :: os :: raw :: c_int ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:2290 [INFO] [stdout] | [INFO] [stdout] 3 | ...) ; } extern "C" { # [doc = " Release output unit from this environment"] pub fn xtb_releaseOutput (arg1 : xtb_TEnvironment) ; } exter... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:1779 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Show and empty error stack"] pub fn xtb_showEnvironment (arg1 : xtb_TEnvironment , arg2 : * const :: std :: os :: raw :: c_char) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:2413 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Set verbosity of calculation output"] pub fn xtb_setVerbosity (arg1 : xtb_TEnvironment , arg2 : :: std :: os :: raw :: c_int) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:1936 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Return and empty error stack"] pub fn xtb_getError (arg1 : xtb_TEnvironment , arg2 : * mut :: std :: os :: raw :: c_char , arg3 : * const :: std :: os :: raw :: c_int) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:2567 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Create new molecular structure data (quantities in Bohr)"] pub fn xtb_newMolecule (arg1 : xtb_TEnvironment , arg2 : * const :: std :: os :: raw :: c_int , arg3 : * const :: std :: os :: raw :: c_int , arg4 : * const f64 , arg5 : * const f64 , arg6 : * const :: std :: os :: raw :: c_int , arg7 : * const f64 , arg8 : * const bool) -> xtb_TMolecule ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:2132 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Bind output from this environment"] pub fn xtb_setOutput (arg1 : xtb_TEnvironment , arg2 : * const :: std :: os :: raw :: c_char) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:2943 [INFO] [stdout] | [INFO] [stdout] 3 | ...ecule ; } extern "C" { # [doc = " Delete molecular structure data"] pub fn xtb_delMolecule (arg1 : * mut xtb_TMolecule) ; } extern "C"... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:2290 [INFO] [stdout] | [INFO] [stdout] 3 | ...) ; } extern "C" { # [doc = " Release output unit from this environment"] pub fn xtb_releaseOutput (arg1 : xtb_TEnvironment) ; } exter... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:3057 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Update coordinates and lattice parameters (quantities in Bohr)"] pub fn xtb_updateMolecule (arg1 : xtb_TEnvironment , arg2 : xtb_TMolecule , arg3 : * const f64 , arg4 : * const f64) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:2413 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Set verbosity of calculation output"] pub fn xtb_setVerbosity (arg1 : xtb_TEnvironment , arg2 : :: std :: os :: raw :: c_int) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:3267 [INFO] [stdout] | [INFO] [stdout] 3 | ...onst f64) ; } extern "C" { # [doc = " Create new calculator object"] pub fn xtb_newCalculator () -> xtb_TCalculator ; } extern "C" { #... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:3373 [INFO] [stdout] | [INFO] [stdout] 3 | ...culator ; } extern "C" { # [doc = " Delete calculator object"] pub fn xtb_delCalculator (arg1 : * mut xtb_TCalculator) ; } extern "C" ... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:2567 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Create new molecular structure data (quantities in Bohr)"] pub fn xtb_newMolecule (arg1 : xtb_TEnvironment , arg2 : * const :: std :: os :: raw :: c_int , arg3 : * const :: std :: os :: raw :: c_int , arg4 : * const f64 , arg5 : * const f64 , arg6 : * const :: std :: os :: raw :: c_int , arg7 : * const f64 , arg8 : * const bool) -> xtb_TMolecule ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:3484 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Load GFN0-xTB calculator"] pub fn xtb_loadGFN0xTB (arg1 : xtb_TEnvironment , arg2 : xtb_TMolecule , arg3 : xtb_TCalculator , arg4 : * mut :: std :: os :: raw :: c_char) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:2943 [INFO] [stdout] | [INFO] [stdout] 3 | ...ecule ; } extern "C" { # [doc = " Delete molecular structure data"] pub fn xtb_delMolecule (arg1 : * mut xtb_TMolecule) ; } extern "C"... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:3681 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Load GFN1-xTB calculator"] pub fn xtb_loadGFN1xTB (arg1 : xtb_TEnvironment , arg2 : xtb_TMolecule , arg3 : xtb_TCalculator , arg4 : * mut :: std :: os :: raw :: c_char) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:3057 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Update coordinates and lattice parameters (quantities in Bohr)"] pub fn xtb_updateMolecule (arg1 : xtb_TEnvironment , arg2 : xtb_TMolecule , arg3 : * const f64 , arg4 : * const f64) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:3878 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Load GFN2-xTB calculator"] pub fn xtb_loadGFN2xTB (arg1 : xtb_TEnvironment , arg2 : xtb_TMolecule , arg3 : xtb_TCalculator , arg4 : * mut :: std :: os :: raw :: c_char) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:3267 [INFO] [stdout] | [INFO] [stdout] 3 | ...onst f64) ; } extern "C" { # [doc = " Create new calculator object"] pub fn xtb_newCalculator () -> xtb_TCalculator ; } extern "C" { #... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:3373 [INFO] [stdout] | [INFO] [stdout] 3 | ...culator ; } extern "C" { # [doc = " Delete calculator object"] pub fn xtb_delCalculator (arg1 : * mut xtb_TCalculator) ; } extern "C" ... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:4075 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Load GFN-FF calculator"] pub fn xtb_loadGFNFF (arg1 : xtb_TEnvironment , arg2 : xtb_TMolecule , arg3 : xtb_TCalculator , arg4 : * mut :: std :: os :: raw :: c_char) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:4268 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Add a solvation model to calculator (requires loaded parametrisation)"] pub fn xtb_setSolvent (arg1 : xtb_TEnvironment , arg2 : xtb_TCalculator , arg3 : * mut :: std :: os :: raw :: c_char , arg4 : * mut :: std :: os :: raw :: c_int , arg5 : * mut f64 , arg6 : * mut :: std :: os :: raw :: c_int) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:3484 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Load GFN0-xTB calculator"] pub fn xtb_loadGFN0xTB (arg1 : xtb_TEnvironment , arg2 : xtb_TMolecule , arg3 : xtb_TCalculator , arg4 : * mut :: std :: os :: raw :: c_char) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:3681 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Load GFN1-xTB calculator"] pub fn xtb_loadGFN1xTB (arg1 : xtb_TEnvironment , arg2 : xtb_TMolecule , arg3 : xtb_TCalculator , arg4 : * mut :: std :: os :: raw :: c_char) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:4593 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Unset the solvation model"] pub fn xtb_releaseSolvent (arg1 : xtb_TEnvironment , arg2 : xtb_TCalculator) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:3878 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Load GFN2-xTB calculator"] pub fn xtb_loadGFN2xTB (arg1 : xtb_TEnvironment , arg2 : xtb_TMolecule , arg3 : xtb_TCalculator , arg4 : * mut :: std :: os :: raw :: c_char) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:4726 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Add a external charge potential to calculator (only supported in GFN1/2-xTB)"] pub fn xtb_setExternalCharges (arg1 : xtb_TEnvironment , arg2 : xtb_TCalculator , arg3 : * mut :: std :: os :: raw :: c_int , arg4 : * mut :: std :: os :: raw :: c_int , arg5 : * mut f64 , arg6 : * mut f64) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:4075 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Load GFN-FF calculator"] pub fn xtb_loadGFNFF (arg1 : xtb_TEnvironment , arg2 : xtb_TMolecule , arg3 : xtb_TCalculator , arg4 : * mut :: std :: os :: raw :: c_char) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:5040 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Unset the external charge potential"] pub fn xtb_releaseExternalCharges (arg1 : xtb_TEnvironment , arg2 : xtb_TCalculator) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:4268 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Add a solvation model to calculator (requires loaded parametrisation)"] pub fn xtb_setSolvent (arg1 : xtb_TEnvironment , arg2 : xtb_TCalculator , arg3 : * mut :: std :: os :: raw :: c_char , arg4 : * mut :: std :: os :: raw :: c_int , arg5 : * mut f64 , arg6 : * mut :: std :: os :: raw :: c_int) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:5191 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Set numerical accuracy of calculator in the range of 1000 to 0.0001"] pub fn xtb_setAccuracy (arg1 : xtb_TEnvironment , arg2 : xtb_TCalculator , arg3 : f64) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:4593 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Unset the solvation model"] pub fn xtb_releaseSolvent (arg1 : xtb_TEnvironment , arg2 : xtb_TCalculator) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:5376 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Set maximum number of iterations for self-consistent TB calculators"] pub fn xtb_setMaxIter (arg1 : xtb_TEnvironment , arg2 : xtb_TCalculator , arg3 : :: std :: os :: raw :: c_int) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:4726 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Add a external charge potential to calculator (only supported in GFN1/2-xTB)"] pub fn xtb_setExternalCharges (arg1 : xtb_TEnvironment , arg2 : xtb_TCalculator , arg3 : * mut :: std :: os :: raw :: c_int , arg4 : * mut :: std :: os :: raw :: c_int , arg5 : * mut f64 , arg6 : * mut f64) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:5585 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Set electronic temperature for level filling in tight binding calculators in K"] pub fn xtb_setElectronicTemp (arg1 : xtb_TEnvironment , arg2 : xtb_TCalculator , arg3 : f64) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:5040 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Unset the external charge potential"] pub fn xtb_releaseExternalCharges (arg1 : xtb_TEnvironment , arg2 : xtb_TCalculator) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:5787 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Perform singlepoint calculation"] pub fn xtb_singlepoint (arg1 : xtb_TEnvironment , arg2 : xtb_TMolecule , arg3 : xtb_TCalculator , arg4 : xtb_TResults) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:5191 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Set numerical accuracy of calculator in the range of 1000 to 0.0001"] pub fn xtb_setAccuracy (arg1 : xtb_TEnvironment , arg2 : xtb_TCalculator , arg3 : f64) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:5968 [INFO] [stdout] | [INFO] [stdout] 3 | ...Results) ; } extern "C" { # [doc = " Create new singlepoint results object"] pub fn xtb_newResults () -> xtb_TResults ; } extern "C" {... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:5376 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Set maximum number of iterations for self-consistent TB calculators"] pub fn xtb_setMaxIter (arg1 : xtb_TEnvironment , arg2 : xtb_TCalculator , arg3 : :: std :: os :: raw :: c_int) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:6077 [INFO] [stdout] | [INFO] [stdout] 3 | ...sults ; } extern "C" { # [doc = " Delete singlepoint results object"] pub fn xtb_delResults (arg1 : * mut xtb_TResults) ; } extern "C"... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:5585 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Set electronic temperature for level filling in tight binding calculators in K"] pub fn xtb_setElectronicTemp (arg1 : xtb_TEnvironment , arg2 : xtb_TCalculator , arg3 : f64) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:6191 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Create copy from a singlepoint results object"] pub fn xtb_copyResults (arg1 : xtb_TResults) -> xtb_TResults ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:5787 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Perform singlepoint calculation"] pub fn xtb_singlepoint (arg1 : xtb_TEnvironment , arg2 : xtb_TMolecule , arg3 : xtb_TCalculator , arg4 : xtb_TResults) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:6328 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Query singlepoint results object for energy in Hartree"] pub fn xtb_getEnergy (arg1 : xtb_TEnvironment , arg2 : xtb_TResults , arg3 : * mut f64) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:5968 [INFO] [stdout] | [INFO] [stdout] 3 | ...Results) ; } extern "C" { # [doc = " Create new singlepoint results object"] pub fn xtb_newResults () -> xtb_TResults ; } extern "C" {... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:6501 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Query singlepoint results object for gradient in Hartree / Bohr"] pub fn xtb_getGradient (arg1 : xtb_TEnvironment , arg2 : xtb_TResults , arg3 : * mut f64) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:6077 [INFO] [stdout] | [INFO] [stdout] 3 | ...sults ; } extern "C" { # [doc = " Delete singlepoint results object"] pub fn xtb_delResults (arg1 : * mut xtb_TResults) ; } extern "C"... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:6685 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Query singlepoint results object for virial in Hartree"] pub fn xtb_getVirial (arg1 : xtb_TEnvironment , arg2 : xtb_TResults , arg3 : * mut f64) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:6191 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Create copy from a singlepoint results object"] pub fn xtb_copyResults (arg1 : xtb_TResults) -> xtb_TResults ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:6328 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Query singlepoint results object for energy in Hartree"] pub fn xtb_getEnergy (arg1 : xtb_TEnvironment , arg2 : xtb_TResults , arg3 : * mut f64) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:6858 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Query singlepoint results object for dipole in e Bohr"] pub fn xtb_getDipole (arg1 : xtb_TEnvironment , arg2 : xtb_TResults , arg3 : * mut f64) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:6501 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Query singlepoint results object for gradient in Hartree / Bohr"] pub fn xtb_getGradient (arg1 : xtb_TEnvironment , arg2 : xtb_TResults , arg3 : * mut f64) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:7030 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Query singlepoint results object for partial charges in e"] pub fn xtb_getCharges (arg1 : xtb_TEnvironment , arg2 : xtb_TResults , arg3 : * mut f64) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:6685 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Query singlepoint results object for virial in Hartree"] pub fn xtb_getVirial (arg1 : xtb_TEnvironment , arg2 : xtb_TResults , arg3 : * mut f64) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:6858 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Query singlepoint results object for dipole in e Bohr"] pub fn xtb_getDipole (arg1 : xtb_TEnvironment , arg2 : xtb_TResults , arg3 : * mut f64) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:7207 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Query singlepoint results object for bond orders"] pub fn xtb_getBondOrders (arg1 : xtb_TEnvironment , arg2 : xtb_TResults , arg3 : * mut f64) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:7030 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Query singlepoint results object for partial charges in e"] pub fn xtb_getCharges (arg1 : xtb_TEnvironment , arg2 : xtb_TResults , arg3 : * mut f64) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:7378 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Query singlepoint results object for the number of basis functions"] pub fn xtb_getNao (arg1 : xtb_TEnvironment , arg2 : xtb_TResults , arg3 : * mut :: std :: os :: raw :: c_int) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:7207 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Query singlepoint results object for bond orders"] pub fn xtb_getBondOrders (arg1 : xtb_TEnvironment , arg2 : xtb_TResults , arg3 : * mut f64) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:7378 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Query singlepoint results object for the number of basis functions"] pub fn xtb_getNao (arg1 : xtb_TEnvironment , arg2 : xtb_TResults , arg3 : * mut :: std :: os :: raw :: c_int) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:7585 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Query singlepoint results object for orbital energies in Hartree [nao]"] pub fn xtb_getOrbitalEigenvalues (arg1 : xtb_TEnvironment , arg2 : xtb_TResults , arg3 : * mut f64) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:7585 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Query singlepoint results object for orbital energies in Hartree [nao]"] pub fn xtb_getOrbitalEigenvalues (arg1 : xtb_TEnvironment , arg2 : xtb_TResults , arg3 : * mut f64) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:7786 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Query singlepoint results object for occupation numbers [nao]"] pub fn xtb_getOrbitalOccupations (arg1 : xtb_TEnvironment , arg2 : xtb_TResults , arg3 : * mut f64) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:7786 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Query singlepoint results object for occupation numbers [nao]"] pub fn xtb_getOrbitalOccupations (arg1 : xtb_TEnvironment , arg2 : xtb_TResults , arg3 : * mut f64) ; } ex... [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:7978 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Query singlepoint results object for orbital coefficients [nao][nao]"] pub fn xtb_getOrbitalCoefficients (arg1 : xtb_TEnvironment , arg2 : xtb_TResults , arg3 : * mut f64) ; } [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: extern blocks must be unsafe [INFO] [stdout] --> /opt/rustwide/target/debug/build/xtb-model-88abb8d798541455/out/bindings.rs:3:7978 [INFO] [stdout] | [INFO] [stdout] 3 | ... } extern "C" { # [doc = " Query singlepoint results object for orbital coefficients [nao][nao]"] pub fn xtb_getOrbitalCoefficients (arg1 : xtb_TEnvironment , arg2 : xtb_TResults , arg3 : * mut f64) ; } [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: unreachable pattern [INFO] [stdout] --> src/raw.rs:149:17 [INFO] [stdout] | [INFO] [stdout] 149 | _ => unimplemented!(), [INFO] [stdout] | ^ no value can reach this [INFO] [stdout] | [INFO] [stdout] note: multiple earlier patterns match some of the same values [INFO] [stdout] --> src/raw.rs:149:17 [INFO] [stdout] | [INFO] [stdout] 145 | XtbMethod::GFNFF => xtb_loadGFNFF(env, mol, calc, std::ptr::null_mut()), [INFO] [stdout] | ---------------- matches some of the same values [INFO] [stdout] 146 | XtbMethod::GFN0xTB => xtb_loadGFN0xTB(env, mol, calc, std::ptr::null_mut()), [INFO] [stdout] | ------------------ matches some of the same values [INFO] [stdout] 147 | XtbMethod::GFN1xTB => xtb_loadGFN1xTB(env, mol, calc, std::ptr::null_mut()), [INFO] [stdout] | ------------------ matches some of the same values [INFO] [stdout] 148 | XtbMethod::GFN2xTB => xtb_loadGFN2xTB(env, mol, calc, std::ptr::null_mut()), [INFO] [stdout] | ------------------ matches some of the same values [INFO] [stdout] 149 | _ => unimplemented!(), [INFO] [stdout] | ^ collectively making this unreachable [INFO] [stdout] = note: `#[warn(unreachable_patterns)]` on by default [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: unreachable pattern [INFO] [stdout] --> src/raw.rs:149:17 [INFO] [stdout] | [INFO] [stdout] 149 | _ => unimplemented!(), [INFO] [stdout] | ^ no value can reach this [INFO] [stdout] | [INFO] [stdout] note: multiple earlier patterns match some of the same values [INFO] [stdout] --> src/raw.rs:149:17 [INFO] [stdout] | [INFO] [stdout] 145 | XtbMethod::GFNFF => xtb_loadGFNFF(env, mol, calc, std::ptr::null_mut()), [INFO] [stdout] | ---------------- matches some of the same values [INFO] [stdout] 146 | XtbMethod::GFN0xTB => xtb_loadGFN0xTB(env, mol, calc, std::ptr::null_mut()), [INFO] [stdout] | ------------------ matches some of the same values [INFO] [stdout] 147 | XtbMethod::GFN1xTB => xtb_loadGFN1xTB(env, mol, calc, std::ptr::null_mut()), [INFO] [stdout] | ------------------ matches some of the same values [INFO] [stdout] 148 | XtbMethod::GFN2xTB => xtb_loadGFN2xTB(env, mol, calc, std::ptr::null_mut()), [INFO] [stdout] | ------------------ matches some of the same values [INFO] [stdout] 149 | _ => unimplemented!(), [INFO] [stdout] | ^ collectively making this unreachable [INFO] [stdout] = note: `#[warn(unreachable_patterns)]` on by default [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: unused variable: `m` [INFO] [stdout] --> src/xtb.rs:237:9 [INFO] [stdout] | [INFO] [stdout] 237 | let m: XtbMethod= "gfn-xtb".into(); [INFO] [stdout] | ^ help: if this is intentional, prefix it with an underscore: `_m` [INFO] [stdout] | [INFO] [stdout] = note: `#[warn(unused_variables)]` on by default [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: unused variable: `m` [INFO] [stdout] --> src/xtb.rs:237:9 [INFO] [stdout] | [INFO] [stdout] 237 | let m: XtbMethod= "gfn-xtb".into(); [INFO] [stdout] | ^ help: if this is intentional, prefix it with an underscore: `_m` [INFO] [stdout] | [INFO] [stdout] = note: `#[warn(unused_variables)]` on by default [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: aborting due to 39 previous errors; 2 warnings emitted [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] error: aborting due to 39 previous errors; 2 warnings emitted [INFO] [stdout] [INFO] [stdout] [INFO] [stderr] error: could not compile `xtb-model` (lib) due to 40 previous errors; 2 warnings emitted [INFO] [stderr] warning: build failed, waiting for other jobs to finish... [INFO] [stderr] error: could not compile `xtb-model` (lib test) due to 40 previous errors; 2 warnings emitted [INFO] [stderr] error: failed to check after updating to 2024 [INFO] [stderr] [INFO] [stderr] Caused by: [INFO] [stderr] process didn't exit successfully: `cargo check --frozen --all --all-targets --message-format=json` (exit status: 101) [INFO] running `Command { std: "docker" "inspect" "22dc95e9e9a4a3f34ce43536891ea2ba1ff1b0b39dd6a6fbd3b16bba5987870f", kill_on_drop: false }` [INFO] running `Command { std: "docker" "rm" "-f" "22dc95e9e9a4a3f34ce43536891ea2ba1ff1b0b39dd6a6fbd3b16bba5987870f", kill_on_drop: false }` [INFO] [stdout] 22dc95e9e9a4a3f34ce43536891ea2ba1ff1b0b39dd6a6fbd3b16bba5987870f