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

From: case <case.biomaps.rutgers.edu>
Date: Wed, 9 Dec 2009 17:55:11 -0500

On Wed, Dec 09, 2009, Jason Swails wrote:

> 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.

You should then make one of two fixes:

1. Change the scripts to call /bin/bash rather than /bin/sh
2. Fix the scripts so that they work with /bin/sh -> /bin/dash or /bin/ash.

I prefer option 2 for portability, since Unix/BSD/cygwin/others may not
always have bash. Certainly, a script should not claim (in its opening
line) to be written for /bin/sh when it really requires bash.

The option I really *don't* like: requiring users to change the /bin/sh
script on their machines. That's is often a protected file that users don't
have any control over (e.g. on a supercomputer site). It also might break
something else.

Aside: what *are* these "system calls" that don't work on Ubuntu?

...dac


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Received on Wed Dec 09 2009 - 15:00:02 PST
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