Julia Carbonate Calculator

Wish list and updates
1

Hello!
We’ve been doing some work to put together a new carbonate calculator in Julia based off CBsys/CO2sys. Happy to take input! Here’s the link to the repo: GitHub - sophieelam/CarbonateCalculator.jl: Carbonate and boron isotope calculator for marine chemistry. · GitHub

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Thanks for sharing! For the record, here some of my suggestions from the meeting earlier today:

  • As suggested by Benoît Pasquier on GitHub, scalarise the main function.
  • Make everything automatically differentiable and use autograd for the pH solvers, like in PyCO2SYS.
  • Set up CI checks with GitHub Actions - use the same set of test files as PyCO2SYS? Should make sure the results are “identical” to other CO2SYS versions or at least that differences are understood and intentional.
  • Consider dropping input/output conditions, like PyCO2SYS v2.
  • Think carefully about the motivation for putting more effort into this (I think it’s a good idea, but it could be helpful to write down a justification that might help guide future decisions on whether to invest more time in particular aspects).
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