On Wed, Apr 14, 2021 at 9:33 PM 石谷沁 <guqin.shi.qilu-pharma.com> wrote:
> Dear Amber Community,
>
> I’m here again…so I successfully installed the serial AMBER packages.
>
>
> make test.serial works well except for 1 error on pytraj test.
>
>
Hi, do you see `pytraj` in $AMBERHOME/lib/python3.8/site-packages/
What's the output of `echo $PYTHONPATH`?
Hai
> The traceback showed that program correctly used the python3.8 in
> miniconda (which was installed automatically during AMBER build)
>
> Below is the full message. Does it related to other python packages of the
> Linux platform?
>
> Thank you for the help!!
> -Guqin
>
> ======================================================================================================================
> Testing serial pytraj
> /home/gqshi/amber20//miniconda/bin/python test.py
> Traceback (most recent call last):
> File "test.py", line 2, in <module>
> import pytraj as pt
> ModuleNotFoundError: No module named 'pytraj'
> test.pytraj: Program error
> ===============================test session starts
> =======================================
> platform linux -- Python 3.8.5, pytest-6.2.3, py-1.10.0, pluggy-0.13.1 --
> /home/gqshi/amber20//miniconda/bin/python
> cachedir: .pytest_cache
> rootdir: /home/gqshi/amber20/AmberTools
> collected 0 items / 1 error
>
> =========================================ERRORS
> ===================================================================
> _____________________ ERROR collecting
> src/pytraj/tests/test_energy/test_sander_energies.py __________________
> ImportError while importing test module
> '/home/gqshi/amber20/AmberTools/src/pytraj/tests/test_energy/test_sander_energies.py'.
> Hint: make sure your test modules/packages have valid Python names.
> Traceback:
> ../../../miniconda/lib/python3.8/importlib/__init__.py:127: in
> import_module
> return _bootstrap._gcd_import(name[level:], package, level)
> ../../src/pytraj/tests/test_energy/test_sander_energies.py:4: in <module>
> import pytraj as pt
> E ModuleNotFoundError: No module named 'pytraj'
> ================================== short test summary info
> ======================================================
> ERROR ../../src/pytraj/tests/test_energy/test_sander_energies.py
> !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
> Interrupted: 1 error during collection
> !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
> ======================================== 1 error in 0.07s
> =================================================
>
>
>
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Received on Thu Apr 15 2021 - 12:00:03 PDT
