Re: [AMBER-Developers] Tests Errors in AmberTools

From: Hai Nguyen <nhai.qn.gmail.com>
Date: Thu, 9 Jun 2016 00:12:03 -0400

On Wed, Jun 8, 2016 at 1:40 PM, Hai Nguyen <nhai.qn.gmail.com> wrote:

> Looking at the log, I think Claudia used system python:
>
> > /usr/bin/python test.py
>
> I agree that we should always suggest users to install miniconda (with Y/N)
>
I will go ahead make that change. If anyone has strong objection, please
> reply here. thanks.
>
>
So I just made the change to master branch. Please have a test and let me
know if I need to update anything.
If anyone wants to use his/her own Python, simply saying 'N'.

Cheers

Hai

Hai
>
> On Wed, Jun 8, 2016 at 1:33 PM, David A Case <david.case.rutgers.edu>
> wrote:
>
>> On Wed, Jun 08, 2016, Claudia Ramírez wrote:
>> >
>> > I did a git pull on Monday (June 6), with gnu 4.8 compilers and doing
>> just
>> > ./configure gnu (serial for now) in Ubuntu 14.04 LTS. And it has 4
>> tests on
>> > AmberTools that aren't working (this is without my modifications), and I
>> > don't know why. I'm attaching the log file to see if anyone could help
>> me
>> > make it work.
>>
>> All the problems are python-related problems, related either to pytraj or
>> to the sander api interface.
>>
>> What is the PYTHON variable in your config.h? If you are not already
>> using a miniconda python, try going to $AMBERHOME/AmberTools/src and
>> running
>> configure_python. Then go back to AMBERHOME and re-run configure.
>>
>> [I still am pushing the (so-far, minority) viewpoint that all users should
>> be offered the choice to install the miniconda python. Users that have
>> both
>> experience with python, and the desire/need to use a different
>> interpreter,
>> are welcome to decline the offer. But configure2 is still prone to
>> deciding
>> that the python in a user's path is OK when it is in fact not OK. So,
>> letting
>> us know which python your Amber installation is using would be a help
>> here.]
>>
>> ....dac
>>
>>
>> _______________________________________________
>> AMBER-Developers mailing list
>> AMBER-Developers.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber-developers
>>
>
>
_______________________________________________
AMBER-Developers mailing list
AMBER-Developers.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber-developers
Received on Wed Jun 08 2016 - 21:30:03 PDT
Custom Search