Incompatible with recent `pymatgen`

[sphuber]

The pymatgen.util.serialization module was removed in pymatgen==v2023.1.9 (see this commit https://github.com/materialsproject/pymatgen/commit/dcf9e83dbd6ee80a99bd54b1a86da88898ba5cd3).

[sphuber]

Is there a unit-test suite for abipy? I would be happy to try a PR that updates the pymatgen requirement and fixes removed code, but I am not sure how to test things are still working.

[gmatteo]

Thanks for reporting the problem. I'm running the test suite right now and I've found another regression introduced in the last version of pymatgen. I'm going to open a PR for pymatgen to fix this problem.

With my patched version of pymatgen, all the abipy tests are OK with python 3.9. Now I should test python3.10 with a fresh environment and the latest version of numpy, etc.

We use pytests for unit testing but several tests invoke Abinit . As a consequence, you will need a working set of Abinit executables and a manager.yml configuration file to run the tests.

Perhaps it's easier if I run all the abipy tests with different python versions and the last version of Abinit to spot possible problems. I'll keep you posted.

[sphuber]

Found more breaking changes due to recent pymatgen releases:

• v2023.10.3: They renamed pymatgen.io.abinit.netcdf.ETSF_Reader to pymatgen.io.abinit.netcdf.EtsfReader
• v2023.9.25: They renamed pymatgen.util.plotting.get_ax3d_fig_plt to pymatgen.util.plotting.get_ax3d_fig and pymatgen.util.plotting.get_ax_fig_plt to pymatgen.util.plotting.get_ax_fig

[gmatteo]

Hi there,

The problem should be solved in d172fb8 . Let me know if this commit passes all your CI tests so that I can release a new abipy version.

[sphuber]

I found one more problem. Just importing abipy raised with the latest version of pymatgen. This PR should fix it: https://github.com/abinit/abipy/pull/275