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pyiron / structuretoolkit Public

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Add mp-api interface#91

Merged

jan-janssen merged 20 commits intomainpyiron/structuretoolkit:mainfrom

mp-apipyiron/structuretoolkit:mp-apiCopy head branch name to clipboard

Apr 10, 2026

Conversation Commits20 (20)Checks Files changed

Merged

Add mp-api interface#91
jan-janssen merged 20 commits intomainfrom
mp-api

Commits

Commits on Apr 2, 2026

Add mp-api interface

jan-janssen
authored and
pmrv
committed
Drop namespace class
pmrv
committed
Add function imports to init
pmrv
committed
Fix typing import
pmrv
committed
Fix deps, typehints, comments add `fields` argument
pmrv
committed
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot]
committed
fix len
pmrv
committed

Commits on Apr 3, 2026

fix: apply CodeRabbit auto-fixes

coderabbitai[bot]
and
CodeRabbit
authored
Format black
pyiron-runner
committed
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot]
committed

Commits on Apr 6, 2026

Change versioning from 0.1.dev1 to 0.0.1
jan-janssen
authored
Add tests for materialsproject
pmrv
committed
Add pymatgen to mp-api opt deps
pmrv
committed
Skip materialsproject tests when mp-api and pymatgen are not installed

pmrv
and
claude
committed
Convert pytest skipif to stdlib unittest in materialsproject tests

pmrv
and
claude
committed
Fix materialsproject tests to skip cleanly when dependencies missing

pmrv
and
claude
committed
Fail if either dep is missing
pmrv
authored

Commits on Apr 10, 2026

Refactor tests to use ase_to_pymatgen function
jan-janssen
authored
Merge branch 'main' into mp-api
jan-janssen
authored
Update method to convert bulk structure to pymatgen
jan-janssen
authored

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