Fortran interfaces - Githubissues

plumed / test-plumed-qe

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Fortran interfaces #3

Open GiovanniBussi opened 2 years ago

GiovanniBussi commented 2 years ago

@ralf-meyer I tried to add fortran interfaces to your patch. This is something that we provide as of PLUMED 2.8, and that enables type checking of the arguments passed to the cmd() functions.

There is a modification in the patch script here. It basically:

copies an additional file to Modules and adds it to the related Makefile
adds use plumed_module statements in several source files

I also created a branch on this repository to test it.

What do you think?

Thanks!

ralf-meyer commented 2 years ago

This is great! I am strongly in favor of any changes that improve readability and aid future maintenance! It is also a great starting point for me to add support for cmake compilation to the patch.

GiovanniBussi commented 2 years ago

@ralf-meyer thanks I merged the modification to master.

Regarding cmake, you might want to take inspiration from dftbplus.