Thanks Hai.
How do I recompile pytraj in Python 3 ?
Ravi
On Mon, Apr 20, 2020 at 8:57 PM Hai Nguyen <nhai.qn.gmail.com> wrote:
> On Mon, Apr 20, 2020 at 5:04 PM Ravi Abrol <raviabrol.gmail.com> wrote:
>
> > Thanks Dave.
> > Our default python environment is 3.7.
> >
> > Running python2.7 from miniconda resolved the pytraj error.
> >
> >
> In the future, you can always use `amber.python` that points to the python
> version you used for amber.
> PS: pytraj works fine with python 3, just in case you want to recompile the
> suite with python 3 version.
>
> Hai
>
>
> > Ravi
> >
> >
> > On Mon, Apr 20, 2020 at 5:06 AM David A Case <david.case.rutgers.edu>
> > wrote:
> >
> > > On Mon, Apr 20, 2020, Ravi Abrol wrote:
> > > >
> > > >We are trying to run pytraj and getting the following error:
> > >
> > > What version of python are you using here?
> > >
> > > >Is this due to python2.7 lib folder in amber18 being incompatible with
> > > >python3 environment
> > >
> > > That is my first guess.
> > >
> > > >
> > > >A related question is, what is the currently recommended way to
> > > install/run
> > > >pytraj from AmberTools19?
> > >
> > > Say "yes" when prompted to download miniconda, which defaults to
> version
> > > 2. Use that python (which will be in $AMBERHOME/miniconda/bin) to run
> > > pytraj. The miniconda inside the $AMBERHOME folder won't interfere
> with
> > > your system python.
> > >
> > > ....dac
> > >
> > >
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Received on Tue Apr 21 2020 - 04:30:02 PDT
