Re: [AMBER] Question about Ambertools 1.5 installation

From: Wook Lee <tuf65152.temple.edu>
Date: Fri, 14 Mar 2014 15:53:56 -0400

Dear Jason

Thank you very much for your efforts to solve this problem.
I did as you told me but I still got an error,
but I will try to figure it out by myself.

Again I really appreciate your help.
Have a nice weekend!

Cheers,

Wook


On 03/14/2014 03:25 PM, Jason Swails wrote:
> On Fri, 2014-03-14 at 13:37 -0400, Wook Lee wrote:
>> Dear Jason
>>
>> Thank you for your reply.
>> I only have AMBER 11, so I want to install Ambertools 1.5.
>> (As far as I found in the internet, even if I want to use Ambertools 12
>> or 13 with AMBER 11,
>> I need to install Ambertools 1.5 first.)
>>
>> As for you suggestion, all the installations I tried, they all started
>> from scratch.
>> I also have been to your website and followed the instruction there,
>> but I still had those errors.
>> Is there any way to solve this problem?
> So I tried it out in a virtual machine and saw the problems you
> mentioned. By default, SUSE does not come with readline installed, so
> the Python interpreter that AmberTools 1.5 builds is broken. You need
> -nopython to get around that, as you saw.
>
> Also, SUSE automatically builds the NetCDF libraries to
> $AMBERHOME/AmberTools/lib64, yet the Amber build script looks for them
> in $AMBERHOME/lib. So what you have to do is make sure that all
> libraries that are in $AMBERHOME/AmberTools/lib and
> $AMBERHOME/AmberTools/lib64 are moved to $AMBERHOME/lib, and all
> libraries installed to $AMBERHOME/lib64 are moved to $AMBERHOME/lib as
> well. Then, you need to make sure that $AMBERHOME/lib64,
> $AMBERHOME/AmberTools/lib, and $AMBERHOME/AmberTools/lib64 are all
> symlinks to $AMBERHOME/lib.
>
> After I did that, the build finishes. So "is there any way to solve the
> problem?" -- yes. But just like any outdated code it's very much a
> "play around until it works" type of thing (try installing Python 1.5,
> for instance...) AmberTools 1.5 really is no longer supported (nor is
> Amber11 for that matter), so for the most part you're on your own.
>
> HTH,
> Jason
>
> P.S. The commands below should implement the sequence of tasks I
> detailed above. They're untested, so go over them before
> copying-and-pasting.
>
> cd $AMBERHOME
> mv AmberTools/lib/* lib
> mv AmberTools/lib64/* lib
> rm -fr AmberTools/{lib,lib64}
> mv lib64/* lib
> rmdir lib64
> ln -s lib lib64
> cd AmberTools
> ln -s ../lib
> ln -s ../lib lib64
>


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Received on Fri Mar 14 2014 - 13:00:02 PDT
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