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pyiron / pyiron_workflow_atomistics / 25971037844
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DEFAULT BRANCH: main
Ran 16 May 2026 07:48PM UTC
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Files 55
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16 May 2026 07:37PM UTC coverage: 90.079%. Remained the same
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fix(notebooks): skip phonon_thermal_conductivity cleanly when local envs absent (#61)

CI's build-notebooks job has been failing because cell 3 of
phonon_thermal_conductivity.ipynb calls subprocess.Popen with hardcoded
paths to local conda envs (/home/liger/miniforge3/envs/...) that don't
exist on GitHub runners. The whole job aborted with FileNotFoundError.

Add a missing-envs guard at the top of the run-loop cell: if any path in
ENVS doesn't resolve, print a clear "skipping" message and set
`pkl_paths = {}`. Downstream cells (summary table, EOS/κ(T)/band/free-energy
plots) gate on `results` being non-empty and emit "(skipped: no run output)"
instead of crashing.

The local envs ARE present on the author's machine, so re-executing the
notebook here regenerates a fresh set of outputs that we ship with the
commit. The skip path is only exercised on hosts (CI, fresh clones) where
ENVS doesn't resolve.

Co-authored-by: Han Mai <ligerzerof@gmail.com>
Co-authored-by: Claude Opus 4.7 (1M context) <noreply@anthropic.com>

3305 of 3669 relevant lines covered (90.08%)

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ID Job ID Ran Files Coverage
1 25971037844.1 16 May 2026 07:48PM UTC 55
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