Quote:Edoapra Aug 24th 8:00 pm
I have uploaded a new version of the patch (if you use this new version, please remove the older patch, first)
Yes, the recommended way to compile NWChem has always been to compile with the simple command
make FC=gfortran
i.e. without providing the full path
I think the patch you have now will not solve the problem for anyone trying to do FC=/full/path/to/compiler while NOT having `/full/path/to` in PATH. May I suggest the following instead:
a) mention it explicitly in https://nwchemgit.github.io/index.php/Compiling_NWChem#Setting_up_the_proper_environment_vari...
i.e. `NWChem does not support usage of the full path in FC and CC variables. Please provide filenames only!'
and
b) throw an error during configure if you found that FC and CC are full paths.
p.s. I fixed the problem on my side by following (a). Thanks for your help in figuring this out.
|