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Ensure Biotite installation is available to all environments#910

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padix-key wants to merge 1 commit into
biotite-dev:mainfrom
padix-key:pixi-fix
Open

Ensure Biotite installation is available to all environments#910
padix-key wants to merge 1 commit into
biotite-dev:mainfrom
padix-key:pixi-fix

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@padix-key

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When building the docs and running the tests using the pixi setip currently advocated in the docs you may run into an error as install is run in the default environment while downstream tasks are run in the test/doc environment. This PR fixes this:

  • Instead of e.g. pixi run doc-full, pixi run -e doc doc-full shall be run (reflected in the docs)
  • install is not cached anymore, as a cache hit in default would skip the install run in e.g. doc. To keep the run time still fast, the compilation of Rust and Cython files are now cached

@codspeed-hq

codspeed-hq Bot commented Jun 12, 2026

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Merging this PR will degrade performance by 14.53%

⚠️ 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

❌ 1 (👁 1) regressed benchmark
✅ 99 untouched benchmarks
⏩ 1 skipped benchmark1

Performance Changes

Benchmark BASE HEAD Efficiency
👁 benchmark_cell_list_compute_contacts[MASK] 19.7 ms 23.1 ms -14.53%

Comparing padix-key:pixi-fix (e7be73d) with main (f4d85b2)

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.

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