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pyiron / pyiron_workflow_atomistics / 28275357619
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DEFAULT BRANCH: main
Ran 27 Jun 2026 02:16AM UTC
Jobs 1
Files 68
Run time 1min
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27 Jun 2026 02:05AM UTC coverage: 87.83% (-2.2%) from 90.069%
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fix(melting): CI fixes — deps, conda env, formatting (#82)

* fix(melting): declare structuretoolkit/pyscal3 deps + black/ruff format; drop session scripts

CI on #81 failed: (1) the new analysis modules import structuretoolkit/pyscal3
which were never added to pyproject -> unit-tests/build-notebooks/pip-check failed
with ModuleNotFoundError cascading through analysis/__init__; (2) the throwaway
scripts/_verify_*.py + submit_grace_verify.sh failed ruff (E401/I001) and carried
hard-coded paths. Add the two deps, remove the session scripts (keep meltingpoint.py),
and apply black + ruff import-sort across the melting/analysis code.

Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>

* fix(melting): add structuretoolkit to conda env files (CI installs from conda, not pyproject)

pyiron CI builds the env from .ci_support/environment.yml, so the pyproject dep
alone left structuretoolkit uninstalled -> unit-tests/build-notebooks/pip-check
still failed. Add structuretoolkit to .ci_support/.binder/docs env files (next to
the existing pyscal3); use >= ranges in pyproject for structuretoolkit/pyscal3 so
pip-check passes against the conda-resolved versions.

Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>

* fix(deps): bump ase/matplotlib/pyiron_snippets/tqdm pins to conda-forge current

pip-check failed because conda-forge now resolves ase 3.29.0 / matplotlib 3.11.0 /
pyiron_snippets 1.4.0 / tqdm 4.68.3, newer than the stale exact pins — pre-existing
drift that blocks any PR. unit-tests already pass with these versions; bump the
pins to match what's installed/tested.

Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>

* fix(deps): pin structuretoolkit/pyscal3 with == (pyiron env action requires PACKAGE==VERSION)

The pyiron env-generation action rejects range specifiers; conda-forge resolves
structuretoolkit 0.0.45 / pyscal3 3.3.2 exactly, so == matches the installed
versions and keeps pip-check green.

... (continued)

3659 of 4166 relevant lines covered (87.83%)

0.88 hits per line

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1 28275357619.1 27 Jun 2026 02:16AM UTC 68
87.83
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