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Ensure same toolchain version is used locally and in CI#885

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padix-key merged 2 commits intobiotite-dev:rustfrom
padix-key:rust-list
Apr 20, 2026
Merged

Ensure same toolchain version is used locally and in CI#885
padix-key merged 2 commits intobiotite-dev:rustfrom
padix-key:rust-list

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codspeed-hq Bot commented Apr 16, 2026

Merging this PR will degrade performance by 54.3%

⚠️ Different runtime environments detected

Some benchmarks with significant performance changes were compared across different runtime environments,
which may affect the accuracy of the results.

Open the report in CodSpeed to investigate

⚡ 21 improved benchmarks
❌ 3 (👁 3) regressed benchmarks
✅ 73 untouched benchmarks
🆕 3 new benchmarks
⏩ 1 skipped benchmark1

Performance Changes

Benchmark BASE HEAD Efficiency
benchmark_bond_list_creation 815.7 µs 268.7 µs ×3
benchmark_connect[connect_via_distances] 26.1 ms 2.6 ms ×10
benchmark_concatenate 320.1 µs 206.8 µs +54.78%
benchmark_encode 183.1 µs 157.6 µs +16.18%
benchmark_connect[connect_via_residue_names] 50.6 ms 4.3 ms ×12
benchmark_get_all_bonds 184.8 µs 153.3 µs +20.51%
👁 benchmark_find_rotatable_bonds 43.9 ms 96 ms -54.3%
benchmark_conversion[get_all_bonds] 181.1 µs 151.9 µs +19.24%
🆕 benchmark_cell_list_compute_contacts[MASK] N/A 20.9 ms N/A
🆕 benchmark_cell_list_compute_contacts[MAPPING] N/A 19.6 ms N/A
🆕 benchmark_cell_list_compute_contacts[PAIRS] N/A 19.6 ms N/A
👁 benchmark_find_connected 307.3 µs 452.5 µs -32.08%
benchmark_cell_list_creation 941.6 µs 339.2 µs ×2.8
benchmark_get_bonds 15.3 ms 7.3 ms ×2.1
benchmark_conversion[bond_type_matrix] 1.4 ms 1.3 ms +10.19%
benchmark_partial_charges 732.9 µs 143.1 µs ×5.1
benchmark_get_coord 4,234.1 µs 589.4 µs ×7.2
benchmark_get_remark 757.9 µs 172.5 µs ×4.4
benchmark_read 3.5 ms 2 ms +70.32%
👁 benchmark_conversion[as_graph] 8.7 ms 11.7 ms -25.7%
... ... ... ... ...

ℹ️ Only the first 20 benchmarks are displayed. Go to the app to view all benchmarks.


Comparing padix-key:rust-list (bf57a90) with main (2e5ef85)

Open in CodSpeed

Footnotes

  1. 1 benchmark was skipped, so the baseline result was used instead. If it was deleted from the codebase, click here and archive it to remove it from the performance reports.

@padix-key padix-key merged commit 2b1ea5b into biotite-dev:rust Apr 20, 2026
49 of 82 checks passed
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