Patrick Huck

Results 46 comments of Patrick Huck

@JaGeo matminer used to have a pin on `pandas~=1.5` which is keeping MP from staying up-to-date with pandas (This would be true with any upward pins that `matminer` enforces in...

@ml-evs We were able to remove the matminer dependency from the MP stack entirely (other than our builders that depend on `robocrys`). Feel free to manage matminer's pandas dependency as...

@ardunn yes, these PRs are created automatically to keep the requirements files up-to-date. `pip-tools` is used to create requirements files that contain the latest conflict-free versions of all the dependencies....

@janosh that's a great catch! You found the ONE entry in `matbench_perovskites` saved with `meV` as unit instead of `eV`. Might be a remnant of a previous upload that failed...

@orionarcher I added the two dependencies to the `setup.py` in the main branch and re-run the action to upgrade all requirements files. They should install during testing when you merge...

This seems to be an issue with the latest chgnet release, see https://github.com/CederGroupHub/chgnet/issues/160. I'm pinning it on main and will update the dependency files.

@orionarcher the chgnet installations succeeds now (see [here](https://github.com/materialsproject/emmet/actions/runs/9389761687/job/25858005976)). The tests are now failing during coverage, though: ``` File "/home/runner/.local/lib/python3.11/site-packages/coverage/data.py", line 25, in from coverage.sqldata import CoverageData File "/home/runner/.local/lib/python3.11/site-packages/coverage/sqldata.py", line 16,...

@orionarcher @munrojm I think I was able to resolve the issue. The tests should pass after merging in the `main` branch. 🤞

@orionarcher no problem, I just added the same dependencies to `emmet-builders` and ran the action to update its dependencies in the `main` branch.

Yes, I agree that these dependencies should be separated into their own extra. In `emmet-core` they already should be, feel free to do the same for `emmet-builders`. I don't think...