Comments (6)
Just ran into this. For me, this only happens with the version installed via pip
. The package on PyPI seems to be missing the ini files
They are included in the conda package
EDIT: The setup.py file should be changed: package_data={'': ['config/*.ini']},
from geometric.
Yes. This issue appears to be not with the code, per se, but with the version published to pypi.org. That version lacks the config
directory so the logger initialization fails. @leeping would it be possible to publish a new version to pypi
that contains the config
dir? Would be nice to have a pip instalable version without having to install from source :)
from geometric.
from geometric.
Fantastic! That would be great. I've been maintaining my own geometric version that adds a few of these fixes and it would be great to have the official published version include them :)
from geometric.
The latest version of geomeTRIC on PyPI has the .ini files available, so it should work for you now. I'll close the issue but please reopen it if you're still having issues. Thanks!
- Lee-Ping
$ tar xvzf geometric-1.0.tar.gz &> /dev/null
$ find . -name \*.ini
./geometric/config/log.ini
./geometric/config/logConsole.ini
./geometric/config/logJson.ini
from geometric.
Fantastic! I'd love to be able to build a few of my projects from PyPi instead of my patched versions on GitHub (makes distribution way easier). I'll get to my rebuilds over the coming weeks and ping you back if there are issues :)
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- "pip install geometric" installs an outdated version, incompatible with recent pyscf HOT 1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
- New minor release? HOT 5
- [BUG] Running Transition=True fails with geometric_run_json HOT 1
- Using all the cores while minimizing the structure HOT 1
- Add option to allow success on reaching maxiter HOT 2
- xTB support request HOT 7
- 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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