hi,
you are staying in the source code folder. So when you `import pytraj`,
python try to import "/home/je714/pytraj/pytraj/". If you are using
ananconda, installed pytraj should be in /home/anaconda3 (or
/home/ananconda/)
Try to "cd tests" and then "python ./run_simple_test.py" to run. (or run
any test file in that folder).
or "cd /home/" and try to import pytraj again. I will add checking to
pytraj to have more warning. thanks
Hai
On Wed, Jul 8, 2015 at 9:31 AM, Juan Eiros Zamora <
j.eiros-zamora14.imperial.ac.uk> wrote
>
> Additionally .Hai,
>
> I've succesfully installed pytraj from the github (had to 'export
> CPPTRAJHOME=/home/je714/pytraj/cpptraj'
> and 'export
> LD_LIBRARY_PATH=/home/je714/pytraj/cpptraj/lib:$LD_LIBRARY_PATH' for it
> to work though).
>
> Now, I get the batman logo saying "succesfully install pytraj" and "make
> sure to add /home/je714/pytraj/cpptraj/lib/ to your LD_LIBRARY_PATH". I
> do so but get the following error:
>
> > je714:/home/je714/pytraj$ python
> > Python 3.4.3 |Anaconda 2.1.0 (64-bit)| (default, Jun 4 2015, 15:29:08)
> > [GCC 4.4.7 20120313 (Red Hat 4.4.7-1)] on linux
> > Type "help", "copyright", "credits" or "license" for more information.
> > >>> import pytraj
> > Traceback (most recent call last):
> > File "<stdin>", line 1, in <module>
> > File "/home/je714/pytraj/pytraj/__init__.py", line 19, in <module>
> > from .core import Atom, Residue, Molecule
> > File "/home/je714/pytraj/pytraj/core/__init__.py", line 2, in <module>
> > from .Atom import Atom
> > ImportError: No module named 'pytraj.core.Atom'
>
> Any ideas on what might be wrong here? (Also note I did the installation
> for my Python 3.4 conda environment)
>
> Sorry for the long e-mail, but I think it's best that I ask my two
> questions instead of replying two times.
>
> All the best,
>
> Juan
>
> On 07/07/15 20:54, Jason Swails wrote:
> > On Tue, Jul 7, 2015 at 3:50 PM, Eiros Zamora, Juan <
> > j.eiros-zamora14.imperial.ac.uk> wrote:
> >
> >> Hi Jason,
> >>
> >> So once I've created the environment py27 with conda, how do I use it
> with
> >> Amber?
> >>
> > You need to activate that environment:
> >
> > source activate py27
> >
> > Then AmberTools' configure should pick up that Python (as long as that's
> > the python that is run when you just type "python" in the terminal).
> > configure should output the Python that it finds and decides to use.
> >
> > HTH,
> > Jason
> >
>
>
>
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Received on Wed Jul 08 2015 - 10:00:02 PDT
