Re: [AMBER] Error while upgrading to AmberTools 17

From: Hai Nguyen <nhai.qn.gmail.com>
Date: Thu, 25 May 2017 08:56:30 -0400

Hi,

Sorry I can't spot any error now.

I suggest to use python 2 to update then.

python2.7 update_amber --upgrade

(normally /usr/bin/python is python 2.7; or you can use conda to create new
env with python 2)

Anyway, download the tarfile is the easiest solution.
http://ambermd.org/AmberTools17-get.html

good luck.
Hai

On Thu, May 25, 2017 at 7:15 AM, Chetna Tyagi <cheta231.gmail.com> wrote:

> Dear Hai,
>
> Thanks for your input. I converted all update files using 2to3. But there
> seems to be a problem in the main.py file after that. The code is pasted
> below. After running it, a NameError occurs stating "name 'y' is not
> defined". This y or N is an answer to "Do you wish to continue?". Any
> answer results in an error. I am attaching the main.py file with this mail.
> Please help me to find out what is wrong with it.
>
>
> Thanks,
> Chetna
>
>
>
> ._makes_changes
> def large_upgrade(self):
> """ Performs a large upgrade (e.g. Amber 12 -> Amber 13) """
> # Let's go ahead and get user-consent before upgrading
> if not self.upgrade.look_for_upgrade():
> self.output.write('No major upgrade available.\n')
> return
> self.output.write('You are about to perform a major upgrade. This is
> '
> 'NOT reversible.\n\n')
>
> * answer = self.get_user_input('Do you wish to continue?
> (y/N)').strip() if answer and answer[0].lower() == 'y':*
> self.upgrade.load_upgrade_info()
> self.upgrade.set_ambertools_patch(self.atools_remote,
> self.atools_unap,
> self.atools_ap)
> if self.has_amber:
> self.upgrade.set_amber_patch(self.amber_remote,
> self.amber_unap, self.amber_ap)
> self.upgrade.perform_upgrade()
> else:
> self.output.write('\nNOT upgrading... Quitting...\n')
> sys.exit(1)
>
> def get_user_input(self, message):
> """ Gets input from the user """
> return eval(input(message.strip() + ' '))
>
> On Wed, May 24, 2017 at 3:03 PM, Hai Nguyen <nhai.qn.gmail.com> wrote:
>
> > That is unforeseen incident.
> >
> > In general, you can use 2to3 to automatically o convert any py2 style to
> > py3 style format.
> >
> > Otherwise, download fresh at17 tarfile from amber website helps too.
> >
> > Hopefully this won't happens in next release.
> > Hai
> >
> > On Wed, May 24, 2017 at 6:30 AM Chetna Tyagi <cheta231.gmail.com> wrote:
> >
> > > Dear all,
> > >
> > > I get several errors while trying to upgrade AmberTools16 to
> > AmberTools17.
> > > I believe it is because of using a newer version of Python.
> > >
> > > An error in main.py was the name 'raw_input' is not defined. In Python3
> > it
> > > has been changed to 'input' and after making the change it worked. The
> > next
> > > error occurred in upgrade.py file. Is there a simpler way to upgrade
> > > without getting such errors?
> > >
> > > I have python version 3.6.0 and Anaconda 4.3.1
> > >
> > > --
> > > Best wishes
> > > Chetna
> > > _______________________________________________
> > > AMBER mailing list
> > > AMBER.ambermd.org
> > > http://lists.ambermd.org/mailman/listinfo/amber
> > >
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
>
>
>
> --
> Best wishes
> Chetna
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
>
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Received on Thu May 25 2017 - 06:00:03 PDT
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