Add profiling capabilities to GBasis#190
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msricher wants to merge 1 commit intotheochem:masterfrom
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@msricher is this ready to merge? I'm not sure if you got an offline review from @marco-2023 or @FarnazH or @leila-pujal or @gabrielasd ? |
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Hi @PaulWAyers, on my side I didn't get to review this. I vaguely remember that maybe the goal was to do a profiling of Gbasis to know where the bottlenecks are without adding this feature into Gbasis, but it's been some time since we worked on this so I could very well be mixing things. |
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Add profiling capabilities to GBasis. By running
py.test [FILES] --profileorpy.test [FILES] --profile-svg, the test that is ran will be profiled and profile information (.prof) and optionally a heat map in .svg format will be generated inprof/.pip install .[test]will now pull in the required libraries for this to work.Checklist
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