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CrystalInfoFramework.jl is a fairly heavy dependency, and accounts for almost half of the load time for using Sunny, even if the user never reads any .cif files.
There is some renewed motivation for this, because cif-api may be more robust to errors in the CIF files. Xiaojian found a CIF file which causes Sunny to error with Lerche.UnexpectedToken (probably a parsing error). Bi3FeO4Mo2O8_setting2.cif.zip
Regarding timing, situation seems to be improved in Julia 1.10. On my machine using Sunny is 1.3s, while using CrystalInfoFramework is 0.6s. However, most of the dependencies of CrystalInfoFramework would be required by Sunny anyway, which can be inspected using:
@time_imports using CrystalInfoFramework
Perhaps we wouldn't need DataFrames and Lerche, which combined account for about 0.23s of loading time on my machine.
CrystalInfoFramework.jl is a fairly heavy dependency, and accounts for almost half of the load time for
using Sunny
, even if the user never reads any .cif files.Should we move to the C library cif-api?
https://comcifs.github.io/cif_api/index.html
It is already distributed by Julia package manager as cif_api_jll . Example code is here:
https://github.com/jamesrhester/CrystalInfoFramework.jl/blob/master/src/libcifapi.jl
Current blocker: It seems that cif-api is not currently working on Windows? For details, see: https://github.com/search?q=repo%3Ajamesrhester%2FCrystalInfoFramework.jl%20windows&type=code
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