[ghemical-devel] mopac7 fortranized successfully

[Tommi Hassinen]

Hello again,

and here are the good news : mopac7 starts working a lot better with a compiler option -fno-automatic set ; here is the section about this option from the g77 manual:


-fno-automatic
    Treat each program unit as if the SAVE statement was specified for every local variable and array referenced in it. Does not affect common blocks. (Some Fortran compilers provide this option under the name -static.)


The following configurations seem to work:

export F77='g77 -fno-automatic'
./configure

and also

export F77='gfortran -std=legacy -fno-automatic'
./configure

I have changed the .f files a bit so I'm doing regression testing first to see that everything is working like it  used to be, and then I make a "release candidate" release of mopac7. Do you have any ideas how to set the fortran compiler options more elegantly than above in the configuration script?

Regards,
Tommi