Change log#

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v0.1.14#

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v0.1.15#

Bug Fixes 🐛#

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  • Fix JobStoreDocument validator by @utf in https://github.com/materialsproject/jobflow/pull/478

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  • fix Flow deserialization for hosts by @gpetretto in https://github.com/materialsproject/jobflow/pull/499

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Enhancements 🛠#

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  • Formalizing the JobStore document format as a pydantic model by @hrushikesh-s in https://github.com/materialsproject/jobflow/pull/424

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  • Simplify code by using Flow methods __len__ and __getitem__ by @janosh in https://github.com/materialsproject/jobflow/pull/467

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  • run_locally() add root_dir: str | Path | None keyword by @janosh in https://github.com/materialsproject/jobflow/pull/486

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  • Allow SSHTunnel in job stores by @mjwen in https://github.com/materialsproject/jobflow/pull/477

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Documentation 📖#

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  • JOSS paper by @utf in https://github.com/materialsproject/jobflow/pull/446

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  • JOSS Paper: Add missing DOIs by @Andrew-S-Rosen in https://github.com/materialsproject/jobflow/pull/452

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  • JOSS Paper: Reduce line-spacing in code blocks by @Andrew-S-Rosen in https://github.com/materialsproject/jobflow/pull/454

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  • JOSS Paper update: Add missing year to refs.bib by @Andrew-S-Rosen in https://github.com/materialsproject/jobflow/pull/458

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  • JOSS Paper: Remove stray tick mark in “[@montydb]`” by @Andrew-S-Rosen in https://github.com/materialsproject/jobflow/pull/459

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  • JOSS Paper: Add another missing year to refs.bib by @Andrew-S-Rosen in https://github.com/materialsproject/jobflow/pull/461

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  • Update refs.bib by @xuanxu in https://github.com/materialsproject/jobflow/pull/462

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  • JOSS: Add missing , to paper by @Andrew-S-Rosen in https://github.com/materialsproject/jobflow/pull/479

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  • JOSS: Add more complete Zenodo reference info by @Andrew-S-Rosen in https://github.com/materialsproject/jobflow/pull/481

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  • JOSS: Fix references to include all coauthors and remove “others” by @Andrew-S-Rosen in https://github.com/materialsproject/jobflow/pull/480

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  • Add fibonacci example to tutorial by @JaGeo in https://github.com/materialsproject/jobflow/pull/494

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House-Keeping 🧹#

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  • Remove __all__ from all modules by @janosh in https://github.com/materialsproject/jobflow/pull/442

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  • Bump minimum Python version to 3.9 by @janosh in https://github.com/materialsproject/jobflow/pull/455

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  • Replace deprecated pkg_resources with importlib.metadata.version by @janosh in https://github.com/materialsproject/jobflow/pull/460

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  • Match atomate2 ruff config by @janosh in https://github.com/materialsproject/jobflow/pull/464

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  • Test error messages by @janosh in https://github.com/materialsproject/jobflow/pull/465

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New Contributors#

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  • @hrushikesh-s made their first contribution in https://github.com/materialsproject/jobflow/pull/424

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  • @xuanxu made their first contribution in https://github.com/materialsproject/jobflow/pull/462

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Full Changelog: https://github.com/materialsproject/jobflow/compare/v0.1.14…v0.1.15

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v0.1.14#

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Bug Fixes 🐛#

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  • Add warning when jobflow.yaml is blank or badly formatted by @mcgalcode in https://github.com/materialsproject/jobflow/pull/415

  • Fix issue with data store by @JaGeo in https://github.com/materialsproject/jobflow/pull/409

  • Make ensure_success apply to replace/detour/addition jobs by @mcgalcode in https://github.com/materialsproject/jobflow/pull/426

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Enhancements 🛠#

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Enhancements 🛠#

  • Add tests for Python 3.11 by @Andrew-S-Rosen in https://github.com/materialsproject/jobflow/pull/413

  • Add support for Pydantic 2 by @Andrew-S-Rosen in https://github.com/materialsproject/jobflow/pull/440

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Documentation 📖#

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Documentation 📖#