Added the trexio support#393

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dhruvDev23 wants to merge 15 commits intotheochem:mainfrom

dhruvDev23:trexio-support

Commits on Dec 21, 2025

Added the trexio support

Dhruv Kumar
authored and
tovrstra
committed
[pre-commit.ci] auto fixes from pre-commit.com hooks

pre-commit-ci[bot]
authored and
tovrstra
committed
improve assertions with float tolerance and charge check

Dhruv Kumar
authored and
tovrstra
committed
fixed DeepSource check

Dhruv Kumar
authored and
tovrstra
committed
resolved ruff line length and import errors

Dhruv Kumar
authored and
tovrstra
committed
Removed unnecessary else after return

Dhruv Kumar
authored and
tovrstra
committed
Skip Trexio test on windows due to platform instability

Dhruv Kumar
authored and
tovrstra
committed
restrict trexio dependency to non-Windows platforms

Dhruv Kumar
authored and
tovrstra
committed
Removed optional trexio dependency to fix CI on Python 3.1

Dhruv Kumar
authored and
tovrstra
committed
Moved pytest.skip to function scope to fix Sphinx build

Dhruv Kumar
authored and
tovrstra
committed
[pre-commit.ci] auto fixes from pre-commit.com hooks

pre-commit-ci[bot]
authored and
tovrstra
committed
Fixed docstring placement to satisfy DeepSource

Dhruv Kumar
authored and
tovrstra
committed
fix: Add validation for nelec and spinpol consistency

Dhruv Kumar
authored and
tovrstra
committed
Fix CI workflow

Dhruv Kumar
authored and
tovrstra
committed
Revert "Fix CI workflow"

Dhruv Kumar
authored and
tovrstra
committed