Andrew S. Rosen
Andrew S. Rosen
### What would you like to report? https://github.com/Quantum-Accelerators/quacc/blob/main/tests/requirements-sella.txt We are pinned to `main` until a new sella is released.
### What would you like to report? https://github.com/Quantum-Accelerators/quacc/blob/2bfbee4fd7a83e74d3982327f1d7bb276d5d8df8/tests/covalent/test_emt_recipes.py#L33-L44 We should uncomment this when a new release of Covalent is made (
### What new feature would you like to see? Right now, a `quacc_results.pkl` file is written out at the end of each run by default. For security purposes, we should...
### What new feature would you like to see? Just waiting on the official release of the updated parameters...
### Environment - **Covalent version**: 0.234.0rc0 - **Python version**: 3.10.13 - **Operating system**: Ubuntu ### What is happening? I have built a Python package containing a bunch of pre-made `@ct.electron`-decorated...
### Environment - **Covalent version**: 0.234.0rc0 - **Python version**: 3.10.13 - **Operating system**: Ubuntu ### What is happening? Back in https://github.com/AgnostiqHQ/covalent/issues/1619, the `workdir` setting was introduced for the Dask and...
### Environment - **Covalent version**: 0.234.0rc0 - **Python version**: 3.10 - **Operating system**: Ubuntu ### What is happening? When I check out the logs in the UI, the timezone does...
### 💻 - [] Would you like to work on this feature? Yes, but as a tester. I don't have enough knowledge of `dask-jobqueue` and Prefect to write it from...
On the [install page](https://psicode.org/installs/v191/), for Linux > Conda > 3.11 > Stable, it returns ``` conda install psi4 python=3.11 -c conda-forge ``` Should it not be using the conda-forge/label/libint_dev? I...
### Problem ```python from emmet.core.symmetry import CrystalSystem sym = CrystalSystem("Triclinic") sym.as_dict() ``` This returns the string "Triclinic" rather than a dictionary. This would normally be fine, but the fact that...