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eljost / pysisyphus

Python suite for optimization of stationary points on ground- and excited states PES and determination of reaction paths.
GNU General Public License v3.0
89 stars 31 forks source link

Nix Updates #295

Closed sheepforce closed 4 months ago

sheepforce commented 4 months ago

Regular update to the latest versions of nixpkgs and NixOS-Qchem. Now with python 3.11

Hydra-Build for @eljost to check: https://hydra.ipc3.uni-jena.de/jobset/Pysisyphus/PR-295_Attempt-1