Import optimisation #287
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Import optimisation #287
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…improve general loading times
…to improve general loading times
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The speedup is impressive! Great work on this PR! Thanks. |
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Summary
On the CECI HPC abilab can take 34s to import with and without pre-compiled wheels, affecting performance of downstream high throughput studies.
After profiling this comes from the
abipy.dynamics.histandabipy.electrons.lobsterheader imports, specifically thepymatgen.io.vasp.outputs.Vasprun,pymatgen.io.vasp.inputs.Potcar, andpymatgen.io.vasp.outputs.Xdatcar. These pymatgen classes are exclusively used in read/write abipy class methods, so the import has been moved to the start of each method as a workaround.Abilab now imports in about a second on my CECI environment