Had a small bug today - essentially mp-api, which is used to get the crystal
structure from the Materials Project needed to be updated, as the web API was
complaining that my client was out of date. Turns out the version I was using
was no longer compliant with the API. It took a little bit of time to figure out
that that was the problem, and here is how I ended up fixing it.
I use PDM to manage my python environment, to figure out what mp-api's
dependencies were I ran pdm list --tree --reverse mp-api. This is a very handy
command that tells you what is requiring a certain package. I realized that I
never fully specified mp-api in my pyproject.toml, so I added it with
pdm add mp-api.
I also ran pdm update to update all packages, after running
pdm update --dry-run to see what it would do. This had the effect of updating
h5py, which doesn't have a wheel for it's binary. So I had to pin h5py with
pdm add h5py==3.10. After that it worked, but didn't give a meaningful error
when the crystal structure wasn't found, and would just return an empty list.
I added a small error message when the output of the crystal structure lookup was a list, and voila, I'm done.
