Comments (5)
leeping
commented on July 4, 2024
3
Thanks for the notification! It's a high priority for me to "officially" release version 1.0 this summer.
- Lee-Ping
from geometric.
leeping
commented on July 4, 2024
Hello Roberto,
A new major release is planned with a great number of new features, including transition state optimization. There are just too many features for me to release them one by one, and the large release takes time (also working on a publication describing some of the features). Please stay tuned!
- Lee-Ping
from geometric.
robertodr
commented on July 4, 2024
I understand, thanks for the reply! I'll stay tuned for 1.0
from geometric.
robertodr
commented on July 4, 2024
Hello! I am re-opening this issue as I've found myself needing the latest master version in the shape of a conda package. I've ended up copy-pasting the conda-forge recipe and running my own build for a separate channel: https://anaconda.org/veloxchem/geometric Even an official pre-release would be very helpful for those, like me, relying on a conda package.
from geometric.
robertodr
commented on July 4, 2024
Congratulations on the 1.0 release! This issue is no longer relevant and I'll close it.
from geometric.
Related Issues (20)
- Energy restraints and PES modification design
- "pip install geometric" installs an outdated version, incompatible with recent pyscf HOT 1
- Cryptic error messages when trying to constrain linear torsions HOT 1
- Virtual site HOT 7
- ORCA support request HOT 4
- optimizer crash HOT 4
- [BUG] Logging configuration update causes issue in default case of no logging configured HOT 6
- [BUG] Running Transition=True fails with geometric_run_json HOT 1
- Using all the cores while minimizing the structure HOT 1
- AttributeError: 'CartesianCoordinates' object has no attribute 'Prims' HOT 2
- geomeTRIC no longer producing .xyz file HOT 3
- TypeError when calling geomeTRIC from pyscf HOT 4
- Bug for constraints type "xyz" in run_json.py HOT 3
- Use of `os.exit` makes geomeTRIC unusable in pipelines HOT 2
- OpenMM warning log HOT 6
- Duplicate logging information HOT 4
- TURBOMOLE support? HOT 12
- Do geometric.internal.MultiDihedral constraints work? HOT 2
- Failed on creating a new Cartesian with the old Cartesian and the different in internal coordinate HOT 4
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