Re: [AMBER-Developers] simplified install process (e.g: no AMBERHOME, no sourcing amber.sh)

From: Scott Brozell <sbrozell.rci.rutgers.edu>
Date: Sun, 12 Feb 2017 00:51:28 -0500

On Sat, Feb 11, 2017 at 06:57:50PM -0500, Jason Swails wrote:
> On Sat, Feb 11, 2017 at 5:59 PM, Scott Brozell <sbrozell.rci.rutgers.edu>
> > On Sat, Feb 11, 2017 at 10:50:54AM -0500, Hai Nguyen wrote:
> > > On Sat, Feb 11, 2017 at 10:34 AM, David Case <david.case.rutgers.edu>
> > > > On Fri, Feb 10, 2017, Hai Nguyen wrote:
> > > >
> > > > > PS2: "NEW" won't work with --skip-python option (there is no Python
> > > > > code to wrap "nab" program to set LD_LIBRARY_PATH)
> > > >
> > > > Can't you use a shell script instead?....dac
> > >
> > > I do no want to support various shell types (like amber.sh, amber.csh).
> >
> > I don't know the details here, but i strongly prefer to have an
> > installation process that does not need python; i might settle for
> > a process that will work with any python.
> >
>
> ???update_amber already requires Python, but works with every version in any
> OS I've ever seen run Amber. I just tested Hai's new stuff with Python 2.4
> (and --skip-python) and it works.

1. I'm concerned about this wrapping of nab. It's a principle of engineering
  to use simple tools. Again i didn't dig into the details, but why do we need
  the awesome power of python to do wrapping ? The Bourne shell is already
  required to install and use Amber. It is not good practice to do everything
  with one tool only because one does not know or does not want to learn another.


2. I'm getting mixed results: 3 repos updated at Sat Feb 11 18:57:28 EST 2017
  and then make veryclean:
a. ./configure -mkl --skip-python intel
   Python 2.6.6
   Red Hat Enterprise Linux Server release 6.7 (Santiago)
cp -f /tmp/amber/AmberTools/src/FEW/FEW.pl /tmp/amber/bin
cp: `/tmp/amber/AmberTools/src/FEW/FEW.pl' and `/tmp/amber/bin/FEW.pl' are the same file
make[2]: *** [install] Error 1
make[2]: Leaving directory `/tmp/amber/AmberTools/src/FEW'

b. ./configure --with-python /usr/local/anaconda2/bin/python gnu
   Python 2.7.12 :: Anaconda custom (64-bit)
   Red Hat Enterprise Linux Server release 6.7 (Santiago)
cp -f /tmp/amber/AmberTools/src/FEW/FEW.pl /tmp/amber/bin
cp: `/tmp/amber/AmberTools/src/FEW/FEW.pl' and `/tmp/amber/bin/FEW.pl' are the same file
make[2]: *** [install] Error 1

c. ./configure --skip-python pgi
   Python 2.7.5
   Red Hat Enterprise Linux Server release 7.2 (Maipo)
Installation of Amber16 (serial) is complete at Sat Feb 11 19:36:49 EST 2017.

This may be a cp exit status issue; I'll investigate tomw.

scott


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Received on Sat Feb 11 2017 - 22:00:02 PST
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