On Tue, Apr 21, 2020 at 7:02 AM Ravi Abrol <raviabrol.gmail.com> wrote:
> Thanks Hai.
>
> How do I recompile pytraj in Python 3 ?
>
>
Please use --with-python /path/to/python3
Hai
>
>
> 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 - 07:00:02 PDT
