Kallisto

Maintenance release to get rid of fixed dependencies to simplify composing methods with their dependency resolving (47)

Bugfix for structure reader that always needed a lowercase path to find the file (45)

Maintenance and bugfix release.
Patching SciPy import error due to changes in their [scipy.sparse.linalg.eigsh](https://docs.scipy.org/doc/scipy/reference/generated/scipy.sparse.linalg.eigsh.html) API.

Maintenance and bugfix release.
Thanks to RMeli, Sulstice, and awvwgk

- Replace ``cnsp`` with ``prox`` and enable size input (29ab4d7)
- Extend and refactor Lebedev-Laikov grid (548b473)
- CLI: input as positional argument and output as option (230d91b)
- Seperate CLI unit tests from numerical checks (5bd6298)
- Use ``pytest`` fixtures for temporary input files (baaa58f)
- Extend test matrix to MacOS (32)

Maintenance and bugfix release.
Thanks to RMeli and Sulstice.

- Bugfix: move Lebedev-Laikov grid to ``kallisto``package (97f1a54) 🐞
- Bugfix: correct shift of substrate in ``exs`` (71722fd) 🐞
- Use CODATA2018 with SciPy constants (8d23d89)
- Clean up ``rmsd``module (f39b577, dba8a28)
- Increase unit test coverage for ``exs`` (47d628d)

Maintenance and bugfix release.
Thanks to RMeli, Sulstice, and awvwgk

- Bugfix: remove verbose mode to make CLI more intuitive (2471cb4) 🐞
- [JOSS](https://github.com/openjournals/joss-reviews/issues/3050): clean up references, add a list for supported features and modelling helper, remove typos (f962e12, c3bd988)
- Add supported Python versions explicitly (bec5949, 7e8f24a)
- Link developers (34f5da2), add pprcht to pyproject.toml (34f5da2)