release 0.9.0

[orbeckst]

GromacsWrapper 0.9.0 was just released 🚀 .

With this release, GromacsWrapper discontinues support for legacy versions of Python 🐍 ; if you need support for Python 2.7 (ye served us well, RIP 👻 ) of Python ≤3.8 please use the 0.8.5 release.

Python 3.9 - 3.12 are officially supported and tested on Linux and macOS. (Windows probably works, too, but we can't test it without GROMACS conda packages for Windows.)

The package is now also tested with GROMACS 2024, so we know GW works with GROMACS 4.6.5 to 2024.2.

Pending Deprecation for the gw-*.py scripts: The gw-*.py scripts are NOT installed (it's technically messy with the new system #278 and requires code refactoring; the scripts also don't have any tests so you should assume that they are just broken). They will likely be DEPRECATED. See issue #279 for more details and voice your opinion if you really need these scripts.

👉 Read more in the 0.9.0 release notes