[gmx-users] Writing and compiling new analyses for gromacs
Peter C. Lai
pcl at uab.edu
Mon Jun 4 23:28:02 CEST 2012
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.
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