Split VASP input sets into submodules #3865
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into sub-modules
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In favor, thanks @janosh! The |
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shyuep
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Given that I expressed my objections to the split earlier, this PR should not have been merged without my review. Also, this PR clearly broke something. See #3988. I have reverted this PR. I will reiterate that these kind of PRs need to be consulted on. I do not want to have to deal with unnecessary complaints of backwards incompatibility. |
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Further, I have no idea how this PR was done, but the PR changes showed the creation of the sets folder with the submodules, but it did not show the deletion of the sets.py file. As a result, reversion of this PR caused all kinds of breakages. |
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follow up PR to #3835, specifically this exchange, that splits VASP input sets (currently all in a 3.3k line
sets.pyfile) into submodulesbase.py,lobster.py,matpes.py,mit.py,mp.py,mvl.py.no breaking changes expected as all input sets are re-exported from the new
pymatgen/io/vasp/sets/__init__.pyand so are importable the same way they were before. i did not re-export some private functions like_get_recommended_lrealinbase.pysince they were already marked private and no other files in pymatgen were importing thempinging @shyuep, @mkhorton, @esoteric-ephemera, @utf, @JaGeo for review