[gmx-users] Writing and compiling new analyses for gromacs

[Peter C. Lai]

On 2012-06-04 05:23:10PM -0400, Justin A. Lemkul wrote:
> 
> 
> On 6/4/12 5:16 PM, Shay Teaching wrote:
> >
> >
> > 2012/6/4 Justin A. Lemkul <jalemkul at vt.edu <mailto:jalemkul at vt.edu>>
> >
> >
> >
> >     On 6/4/12 2:59 PM, Shay Teaching wrote:
> >
> >         Dear Gromacs users,
> >
> >         I want to write new analyses for gromacs and compile it (so I'll have
> >         g_whatever) as part of the gromacs package.
> >         Per the instructions I found on gromacs website, I installed kdevelop
> >         and opened
> >         the gromacs as a project using kdevelop. However I have two questions:
> >         1) When I try to compile gromacs source, through kdevelop, I get a
> >         "permission
> >         denied" error. I think it is because gromacs installation requires root
> >         privileges. Any suggestions on how to bypass that, so I won't have to use
> >         kdevelop as root (which is a *really* bad idea)? (e.g., installing gromacs
> >         without root?)
> >
> >
> >     Assuming you're trying to compile template.c in some system-level directory,
> >     you're certain to run into that problem.  Compile in a different location.
> >
> > Actually, I tried installing Gromacs to my home directory, not system directory.
> > You're saying that I'm not supposed to encounter this error?
> >
> 
> You shouldn't have permission errors in your home directory.  I've never used 
> KDevelop; what happens if you try to compile from a normal command line?

My guess is that KDevelop isn't re-running configure and/or ccmake to set
PREFIX correctly before make.