It shouldn't have any very noticeable effect really (outside of filling the
bin directory with a couple Python modules). The Python programs should
just use the system Python instead. (This is the only available approach
in the upcoming version).
A couple other things are written in Python, though, so it wouldn't _just_
be MMPBSA to be affected. (The constant pH input utility is written in
Python as well, as is a softcore TI setup script).
HTH,
Jason
On Wed, Jan 11, 2012 at 11:11 AM, Hugo R Hernandez-Mora <
hernandezhr.mail.nih.gov> wrote:
> Jason,
> thanks for your quickly answer, and yeah I hope with the newest version
> of amber it corrects relocation issues and so. Quick question, by
> disabling python the only impact will be the usage of MMPBSA?
>
> Regards,
> -Hugo
>
> On 01/11/2012 10:09 AM, Jason Swails wrote:
> > Can you try building with the "-nopython" flag to configure? The problem
> > here is that Amber 11 and AmberTools 1.5 is not easily relocatable.
> > Wherever this RPM goes, though, a standard Python (that is the same 2.x
> > version for each machine) is needed.
> >
> > I would also suggest building it in something like /usr/local or some
> other
> > standard location that will exist on every machine.
> >
> > I've never tried this, though, so I can't speak for sure. Hopefully
> Amber
> > 12 will be better in this regard...
> >
> > HTH,
> > Jason
> >
> > On Wed, Jan 11, 2012 at 9:58 AM, Hugo R Hernandez-Mora<
> > hernandezhr.mail.nih.gov> wrote:
> >
> >> Hello there,
> >> I have been trying to build a rpm file for Amber 11 and AmberTools 1.5.
> I
> >> successfully compiled the package but I want to create the rpm to easily
> >> deploy it into others servers. We are running Scientific Linux 6.1 as
> >> well as CentOS 5.6. Attached is a copy of my spec file. After running
> >> the rpmbuild command the rpm file is created successfully but I get an
> >> error message about missing python binaries as well as
> perl(ForkManager).
> >> Any thoughts?
> >>
> >> Thanks,
> >> -Hugo
> >>
> >> -bash-4.1$ sudo rpm -ivh RPMS/x86_64/amber-11.1.5-0.**el6.x86_64.rpm
> >> error: Failed dependencies:
> >> /home/hugo/redhat/BUILD/amber-**11.1.5/bin/python is needed
> >> by amber-11.1.5-0.el6.x86_64
> >> /home/hugo/redhat/BUILD/amber-**11.1.5/bin/python2.6 is
> >> needed by amber-11.1.5-0.el6.x86_64
> >> /usr/local/bin/python is needed by amber-11.1.5-0.el6.x86_64
> >> perl(ForkManager) is needed by amber-11.1.5-0.el6.x86_64
> >>
> >>
> >> _______________________________________________
> >> AMBER-Developers mailing list
> >> AMBER-Developers.ambermd.org
> >> http://lists.ambermd.org/mailman/listinfo/amber-developers
> >>
> >>
> >
>
> --
> *Hugo Hernandez-Mora
> Linux Administrator*
>
> NIH/NHGRI/NCTT Contractor
> 9800 Medical Center Dr, Suite 3005
> Rockville, MD 20850
> Tel: 301-217-2581
> Cel: 240-506-7982
>
> "Se seus esforços foram vistos com indeferença, não desanime que o sol
> faze um espectacolo maravilhoso todas as manhãs enquanto a maioria das
> pessoas ainda estão dormindo"
> - Anónimo brasileiro
> _______________________________________________
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> AMBER-Developers.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber-developers
>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Wed Jan 11 2012 - 08:30:03 PST
