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paleolimbot / tidyphreeqc

Tidy geochemical modeling using PHREEQC
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installation of tidyphreeqc requires chemr #5

Closed Ignimbrit closed 5 years ago

Ignimbrit commented 5 years ago

Currently, somebody installing tidyphreeqc for the first time will almost certainly run into an issue where R demands the installation of package "chemr", which is required by tidyphreeqc. As chemr is not on CRAN for now, the user can only resolve this if he/she knows where to look for it:

(devtools::install_github("paleolimbot/chemr")

I've been browsing the code and I think chemr is evoked thrice in tidyphreeqc for the purpose of providing the molecular weight of an atom. I would not want to touch those specific code snippets myself, as at least two of them seem to be quite fundamental to some central & nontrivial elements of tidyphreeqc. Therefore this issue instead of a pull request.

Maybe the easiest solution to help new users for an easy start into tidyphreeqc would be to include a short notice on the beginning of tidyphreeqc's readme.md, stating that chemr is required and where to find it.

Alternatively, the functionality provided by chemr might be replacable by something PeriodicTable::mass does, which is on CRAN and could therefore be installed automatically. However, while PeriodicTable::mass seems equivalent to chemr::elmass, chemr::mass seems to be doing something slightly different.

Third, pushing chemr to CRAN would solve the problem ;-)

paleolimbot commented 5 years ago

I think it just needs a Remotes: paleolimbot/chemr line in the description until I get chemr on CRAN

paleolimbot commented 5 years ago

This is fixed now! I cleaned up a few things...will clean up a few more in the coming weeks. Cheers!