Re: [AMBER-Developers] latest release candidate for AmberTools 1.3

From: Jason Swails <jason.swails.gmail.com>
Date: Wed, 9 Dec 2009 15:42:05 -0500

Hello,

On Wed, Dec 9, 2009 at 2:57 PM, Mengjuei Hsieh <mengjueh.uci.edu> wrote:
>
> Hi,
>
> I totally agree with Jason, in fact, I just setup a unbuntu in my
> virtualbox vm (ubuntu-9.10-desktop-amd64). Several things I want
> to address are:
>        1) I have to do
>               apt-get install csh flex xorg-dev gfortran g++ bison
g++ is not included in 9.10?
>           before I start to work on src/configure
>        2) Ubuntu's sh hates src/configure, I HAVE TO CHANGE IT TO
>           /bin/bash TO MAKE IT WORK.

That was the extent of the adds/mods I had to make to my machine to
get things to work. They're fast, easy fixes. The only question is if
there is any convenient place to put them that users would actually
look at. Perhaps we could add those packages as prerequisites in the
amber installation instructions in the manual, (which should be
enough?). I could make those changes easily enough if it was desired.
Also, ubuntu's sh seems overly picky about commands that don't look
specific to bash. In the new MMPBSA scripts we are writing in python,
we use system calls (to call ptraj and sander) that use /bin/sh but
don't work on Ubuntu until sh is redirected to /bin/bash. I would
also not be surprised if several tests (the ones written in sh) failed
because of it.

>        3) Other than that, it's an out-of-box experience. :-)


--
---------------------------------------
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Wed Dec 09 2009 - 13:00:03 PST
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