Andrew S. Rosen
Andrew S. Rosen
### Problem ```python from emmet.core.tasks import TaskDoc task_doc = TaskDoc.from_directory(".") print(task_doc.entry.parameters["run_type"]) # prints GGA even though it's an r2SCAN run ``` We can strip back a few layers to find...
### Problem I am trying to use `mypy` on a package that uses `emmet.core` as a dependency, but it can't use any of emmet's type hints because there is no...
### Problem Trying to read in a VASP run with an LDA (i.e. `PAW` but not `PAW_PBE`) pseudopotential causes a POTCAR parsing issue on emmet-core 0.69.6 and pmg 2023.10.4. ```python...
The returned entries are: https://github.com/materialsproject/emmet/blob/47ae22c6071319254fac1c0dd8d6b8ebed57717b/emmet-core/emmet/core/symmetry.py#L156-L166 However, I don't think `source`, `hall`, or `version` have an associated pydantic field description.
As I discussed with @munrojm, there are instances in maggma where the user has to supply a "task_id" where it is arguably not necessary. Consider this example: ```python from maggma.stores...
As discussed in #828, most file-based database packages (including MontyDB in the already-implemented `MontyStore`) do not have any built-in protection against multiple Python processes (or threads) reading/writing to the same...
# Overview Given a `Store.to_json()` representation, one would ideally be able to use `MontyDecoder` to regenerate the `Store` object. This works for `MemoryStore`, `MongoStore`, etc. but does not work for...
https://github.com/scottrogowski/mongita It would be great to have more file-based DB options in maggma. One such option (which I think @rkingsbury first told me about) is `mongita`. This is mostly a...
### Problem In talking to colleagues unfamiliar with maggma, when they check out the repo, it seems there is some (justifiable) confusion about the main purpose of the package. For...
I saw some terrifying Twitter threads about people accidentally uploading credentials to their GitHub repo and it causing massive security/financial havoc. Might it be worth adding https://github.com/marketplace/gitguardian to maggma since...