Thanks Hai.
Ravi
On Tue, Apr 21, 2020 at 6:56 AM Hai Nguyen <nhai.qn.gmail.com> wrote:
> 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 - 14:30:02 PDT
