Comments (5)
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.
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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.
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Found more breaking changes due to recent pymatgen
releases:
v2023.10.3
: They renamedpymatgen.io.abinit.netcdf.ETSF_Reader
topymatgen.io.abinit.netcdf.EtsfReader
v2023.9.25
: They renamedpymatgen.util.plotting.get_ax3d_fig_plt
topymatgen.util.plotting.get_ax3d_fig
andpymatgen.util.plotting.get_ax_fig_plt
topymatgen.util.plotting.get_ax_fig
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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.
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I found one more problem. Just importing abipy
raised with the latest version of pymatgen
. This PR should fix it: #275
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