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qmlcode / qmllib Public

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Last mile 1#29

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andersx wants to merge 32 commits intoqmlcode:mainqmlcode/qmllib:mainfrom

andersx:last-mile-1andersx/qmllib:last-mile-1Copy head branch name to clipboard

Conversation Commits32 (32)Checks Files changed

Closed

Last mile 1#29
andersx wants to merge 32 commits intoqmlcode:mainfrom
andersx:last-mile-1

Commits

Commits on Feb 16, 2026

Fix CMake build system and remove legacy build files
andersx
committed
Add pybind11 bindings for Fortran solver functions
andersx
committed
Refactor fsolvers.f90 to eliminate code duplication
andersx
committed
Add pybind11 bindings for representations and utils modules
andersx
committed
Add input validation back to representation functions
andersx
committed
Add comprehensive input validation to all representation functions
andersx
committed
Remove example kernel files and build configuration
andersx
committed
Restore compiler optimization flags for all modules
andersx
committed
Merge pull request #1 from andersx/fix/cmake-build-system
andersx
authored
Add pybind11 bindings for kernels
andersx
authored
Convert gradient kernels from f2py to pybind11 (#3)
andersx
authored
Convert SLATM to pybind11 and remove ARAD representation (#4)
andersx
authored
WIP: Migrate FCHL representations from f2py to pybind11 (#5)
andersx
authored

Commits on Feb 17, 2026

Complete FCHL migration from f2py to pybind11 (#6)
andersx
authored
Feature/fix gradient kernels (#7)
andersx
authored

Commits on Feb 18, 2026

Fix/fchl openmp race conditions (#8)
andersx
authored
Fix local kernel functions to handle arbitrary representation sizes (#9)
andersx
authored
Fix test_gdml_derivative and add diagnostics to remaining xfail tests (#10)
andersx
authored
Convert README from RST to Markdown
andersx
committed
Remove README.rst in favor of README.md (#11)
andersx
authored
Add strict ruff and mypy linting (#12)
andersx
authored
Migrate from mypy to ty for type checking (#13)
andersx
authored
Migrate fqrlq_solve, fcond, and fcond_ge from f2py to pybind11 (#14)
andersx
authored

Commits on Feb 19, 2026

Separate integration tests from unit tests for faster CI (#15)
andersx
authored
Optimize FCHL kernel tests with symmetry
andersx
authored
WAdded ci build for macos (#17)
andersx
authored

Commits on Feb 21, 2026

Feature/release workflow (#18)
andersx
authored
Jimmyfy in progress ...
andersx
committed
Fix make clean, stubs, monkeytype targets; add monkeytype to dev deps
andersx
committed
Add build and test-dist targets, add twine to dev deps
andersx
committed
Remove stray kernel.npy from repo root
andersx
committed
Use uv run consistently for all tools in Makefile (stubgen, pip, pre-commit)
andersx
committed

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