update to using pyproject.toml only

Becksteinlab / GromacsWrapper

GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2024 supported).

https://gromacswrapper.readthedocs.org

GNU General Public License v3.0

168 stars 53 forks source link

Closed orbeckst closed 3 months ago

orbeckst commented 3 months ago

use pyproject.toml only
- remove setup.py
- remove setup.cfg
versioningit works well in numkit so we should keep things in sync and update here/remove versioneer.