J. George

> @JaGeo agreed, this should probably go in the docs for clarity. Also happy to add to the working paper Personally, I think it should be also in the paper....

@naik-aakash set up a docker for https://github.com/autoatml/autoplex but it has been a massive amount of work. Before this, we did the compilation on the repo. The slowness was a real...

@janosh thank you for offering this. I am unsure about the timescales for such solutions. We would like to have the workflow available as soom as possible due to the...

Just add it to the workflow file. You can see how micromamba is used for installation here: https://github.com/materialsproject/atomate2/blob/3d55b2b56b2dfb938ab60b6deb198b8e682fcd7f/.github/workflows/testing.yml#L61

@hrushikesh-s I will try to look into it. Could you add all installation instructions to the documentation as well?

@hrushikesh-s Locally, it fails for me with exactly the same error. Are you sure you have the same pheasy, ALM and phonopy versions? I only have a force_matrix.pkl file in...

I also got a numpy error. Something in the pheasy commands seems to go wrong.

@hrushikesh-s Thank you for this pull-request. I have a list of TODOs: - [x] Solve conflicts with the current main branch - [x] Check if the tests run through here...

@leslie-zheng you mean documentation? Just some info on the approach as a part of the docs. Happy to help you write it once the conflicts are solved and a new...

@hrushikesh-s I increased code reuse in the pheasy code. The other changes already look great! What is missing: - please add instructions for the installation in the documentation, please also...