The failing linting does not stem from our changes.

Once the other tests pass, this is ready for review

@shyuep @mkhorton @janosh this pull request is ready for review. The linting issues show up in different parts of the code.

There are many mysteries in the world of linters, including why they jump up on untouched parts of the code out of the blue 🤣 .

I tried to push a PR to your branch but for some reason your branch wouldn't show up?

src/pymatgen/analysis/local_env.py:3051:32:

- if (m != j) and (m != k) and (not flag_xaxis):
+ if m not in {j, k} and (not flag_xaxis):

src/pymatgen/io/aims/parsers.py:333:12:

- if (line_start == LINE_NOT_FOUND) or (line_end == LINE_NOT_FOUND) or (line_end - line_start != n_kpts):
+ if LINE_NOT_FOUND in {line_start, line_end} or (line_end - line_start != n_kpts):

src/pymatgen/io/vasp/outputs.py:1707:25:

- if (
-                        tag == "eigenvalues_kpoints_opt"
-                        or tag == "projected_kpoints_opt"
-                        or (tag == "dos" and elem.attrib.get("comment") == "kpoints_opt")
-                    ):
+ if tag in {"eigenvalues_kpoints_opt", "projected_kpoints_opt"} or (
+                        tag == "dos" and elem.attrib.get("comment") == "kpoints_opt"
+                    ):

@DanielYang59 can you try again? You should now be allowed to do this

Beautiful! Thanks for granting the access. Actually I was not looking for writing access to your fork, but to open a PR where your fork is the base repo, but I cannot find yours as the target repo for some reason.

@DanielYang59 i am very confused. You mean this branch https://github.com/JaGeo/pymatgen/tree/orthorhombic_supercell ?

Sorry for the confusion. For some reason I can see your fork now (wasn't showing up before):

Everything is working fine now! Thanks!

@DanielYang59 thank you 😀.

I hope someone will then merge our backward compatible code soon!

No problem!

Beautiful! Thanks for granting the access. Actually I was not looking for writing access to your fork, but to open a PR where your fork is the base repo, but I cannot find yours as the target repo for some reason.

I had the same problem yesterday btw. I worked around it by starting the PR in the JaGeo repo. But good everything worked in the end.

Merged. Sometimes lint errors come up on other parts due to update of the linting software versions.

Thank you @shyuep