Comments (12)
But the error comes from dgl?
from lobsterpy.
For LobsterPy, it simply says that it uses a cached version of typing. I don't think LobsterPy is the issue here. Why would typing affect dgl?
from lobsterpy.
Or did you just install typing and dgl for testing?
from lobsterpy.
I just created a fresh environment (Python 3.11) and installed typing and dgl. No issues.
Same for "pip install typing" and "pip install atomate2[strict]".
from lobsterpy.
Thanks for looking into this!
So I was not able to pip install -e .[strict]
on the main
branch of atomate2 with dgl being the main problem.
lobsterpy looked like the last package that caused a clash so I raised the issue here.
So ultimately this might be an issue with matgl or dgl. Please let me know if you see the same problem with the main
branch of atomate2.
from lobsterpy.
There are no issues here either. I assume you have something else installed in your environment that causes problems. I also cleaned my pip cache to make sure I installed the latest versions and just now recreated the Conda environment.
Also, lobsterpy's typing requirement is completely open regarding version number. I don't see how this could cause any conflicts.
from lobsterpy.
Maybe, recreate your environment?
from lobsterpy.
Feel free to reopen if you have more evidence that the typing import is the issue.
from lobsterpy.
I nuked my environment and even reinstalled Conda but still have the same install problems for atomate2 strict from main
. I do agree this is likely not a lobsterpy issue though. Will check elsewhere.
from lobsterpy.
Weird. I did the same thing.
Python version dependent? Dependent on the operating system?
from lobsterpy.
This was persistent across different python versions on OSX for me.
This could be related to the following:
https://community.intel.com/t5/Intel-oneAPI-Math-Kernel-Library/How-to-use-mkl-on-M2-mac/m-p/1479942#M34512
Cannot attempt reproduction on other mac devices.
from lobsterpy.
If you have an idea how to solve this, let me know. But to me, an open typing dependency is a weird reason to cause such a failure.
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Related Issues (20)
- Fatband plots
- Large number of environments break the automatic plot HOT 1
- Plot does not save png correctly
- Code of conduct HOT 2
- Speed up installation
- Tests for multi-center bonding plotting features
- Edge features from LobsterNeighbors
- Fix warnings for flake8 pre-commit CI
- Developers installation out of date HOT 7
- [CI] `test_cli` failed on MacOS due to different `matplotlib` rounding precision HOT 4
- [Bug] NumPy 2.x breaks CI tests HOT 5
- Do we really need very large kpoint grid density to do the vasp computation in order to do the further lobster computation? HOT 5
- My confusion on different basis sets involved in one lobster computation. HOT 13
- Some quesitons on the lobster_basis used by this package. HOT 17
- Fractional occupancies. HOT 6
- What about add PBE_64 into the _valid_potcars list of the LobsterSet function defined in pymatgen? HOT 6
- The inappropriate code snippet appeared in the `Command line interface` tutorial. HOT 1
- Failed to run `Command line interface` tutorial. HOT 9
- Calc quality analysis needs to be updated HOT 4
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