github-actions
released this
20 Dec 20:59
·
3 commits
to f5aca411399bebbe81b68cce3a4943435d2e6418
since this release
0.10.0 - 2024-09-12
Changed
- 🚨 Bumped minimum python version from 3.8 -> 3.9.
- Updated all conda dependencies in
env.lock
. - Removed Intel's
openmp
fromenv.yaml
since they seem to have removed their channel. Replaced it withllvm-openmp
. - Updated to
qcelemental 0.28.0
as this is required forpsi4 1.9
. - Upgraded all python package dependencies.
- Dropped
black
andisort
in favor ofruff
. - Updated typing syntax to python 3.9.
- Updated base image from
mambaorg/micromamba:1.4-jammy
->mambaorg/micromamba:1.5-jammy
.
Added
- Support for CREST conformer searches (interface support via new
qcop
. Binary via conda).