main
2 weeks, 5 days ago
docs: fix README RST section underline for PyPI
PyPI long_description validation rejected v0.2.0 fo
Server Error.
main
2 weeks, 5 days ago
feat!: finish suite migration; drop deprecated I/O shims
Remove xyzIO and public parseOut/orcaVis.
Server Error.
main
2 weeks, 5 days ago
chore(release): 0.1.5 suite floors and xyzdat compat
Raise chemparseplot/rgpycrumbs floors to live
Server Error.
main
2 weeks, 5 days ago
ci: uv Build & Test and docs; project docs extra
Align day-to-day CI with the tag release path (uv,
Server Error.
main
2 weeks, 5 days ago
ci: modernize workflows to uv on supported runners
Replace dead PDM/Poetry matrices (ubuntu-18.04,
Server Error.
main
2 weeks, 6 days ago
docs: fix README migration table for PyPI RST validation
Twine/readme_renderer rejected the multi-l
No dependencies with known security vulnerabilities.
main
2 weeks, 6 days ago
fix(io): enforce npoints on suite geomscan energy surfaces
chemparseplot extract path ignored npoin
No dependencies with known security vulnerabilities.
fix/drop-vg-conda-metadata
2 weeks, 6 days ago
fix(packaging): drop vg and align GPL metadata for conda-forge
Bond length/angle helpers use NumPy
No dependencies with known security vulnerabilities.
fix/rgpkgs-dry-review-batch
3 weeks, 2 days ago
docs: link readcon-core for suite CON/convel I/O
No dependencies with known security vulnerabilities.
fix/rgpkgs-dry-review-batch
3 weeks, 2 days ago
feat(io): proxy vib/IR/VPT2/populations through chemparseplot
orcaVis frequency, VPT2, IR, and popu
No dependencies with known security vulnerabilities.
fix/rgpkgs-dry-review-batch
3 weeks, 2 days ago
feat(io): proxy geomscan via chemparseplot; suite units; freeze inp
single_energy_surface prefers c
No dependencies with known security vulnerabilities.
fix/rgpkgs-dry-review-batch
3 weeks, 2 days ago
fix(io): deprecation warnings and hub suite_pins preference
Warn on parseOut, orcaVis, and xyzIO to
No dependencies with known security vulnerabilities.
main
4 weeks, 1 day ago
feat: slim ORCA I/O proxy over chemparseplot and pychum
Prefer chemparseplot grammar for XYZ and fi
No dependencies with known security vulnerabilities.
main
4 weeks, 1 day ago
fix(release): clean hatch packaging and token-based PyPI publish
Sdist no longer ships local venvs;
No dependencies with known security vulnerabilities.
main
4 weeks, 1 day ago
fix(ci): drop siuba; pin pandas>=2.2 for modern Python
siuba forced pandas<2.1 which fails to build
No dependencies with known security vulnerabilities.
