qmllib v1.1.5

What's Changed

• Setting the consistency of atoms and coordinates in function definitions by @charnley in #16

• Added cov test setup

• Changed assert to raise exception

• Remove Python2 dependencies

• Cleaned f90 headers

• Added cites and changed interface to be cite-consistent #17

• Bump version to minor, show breaking interface

Full Changelog: v1.0.7...v1.1.5

qmllib 1.0.7

Full Changelog: v1.0.6...v1.0.7

v1.0.6 Updated numpy dependencies

What's Changed

• Added blocker for release and updated publish by @charnley in #14
• Added readme notes, Changed dependencies by @charnley in #15

Full Changelog: v1.0.3...v1.0.6

qmllib 1.0.3

What's Changed

• Setup Python package information and build setup for 3.12 by @charnley in #1
• Formatting and changed tests to functional by @charnley in #2
• Types and format by @charnley in #3
• Setup repository for pypi package management by @charnley in #4
• Starting the versioning CI by @charnley in #8
• Not ready for Numpy 2.0.0 by @charnley in #11
• Compiled with numpy 2.0 by @charnley in #12
• Setup release schedule baseline by @charnley in #13

New Contributors

• @charnley made their first contribution in #1

Full Changelog: https://github.com/qmlcode/qmllib/commits/v1.0.3