[gmx-users] error in GMXRC (fwd)

Erik Lindahl erik at theophys.kth.se
Fri Aug 17 21:57:27 CEST 2001

On Fri, 17 Aug 2001, Ben Simons wrote:

> >
> > I've managed to compile gromacs without the mpi option.
> > I think there's a few typo's in the GMXRC file created.
> >
> Actually, I've tried the various different shells, and none
> of them except tcsh work properly. I normally use zsh. I suspect
> the developers must use tcsh...

Hi Ben,

The main problem with the script was that I only checked it on
very recent versions of bash and zsh; older ones didn't support
all that syntax, apparently.

For instance, the construct


removed the string $VAR from $PATH in bash, but it might not work
for older versions of zsh. I'll just expand it.

Separate scripts would be nice when editing them, but it makes
it very difficult for joe user who doesn't have the slightest
idea which shell he has. I'm adding more comments and separating
the parts for different shells, so it should be easier to change.

Actually, I'll try to test it a little more carefully before
throwing it at you, so I won't upload it until tomorrow or so, but
if you want to run you only NEED the path, so you could create
a minimalist GMXRC for your shell where you only add the
Gromacs binary directory until then.



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