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Tools to perform FDET calculations using MD averaged densities.

License: GNU Lesser General Public License v3.0

Python 99.31% Shell 0.69%

fdeta's People

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crisely09 avatar nicoricardi avatar

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mingxuef nicoricardi andrey-laktionov

fdeta's Issues

Pytest doesn't find cpp modules in Travis built

I have tried at least 3 different ways to install and to test the module in order to use and build the cpp modules (with pybind11).
I first tried the way is done in the python_example given in the pybind11 documentation, it worked, installed properly and the tests run fine locally.
I also tried using cmake works independently, and the result is exactly the same: pytest can not find the .cpp module
I also tried the trick of deleting the __init__.py file from the tests directory and it didn't work.

python -m pytest --ignore=lib/pybind11
============================= test session starts ==============================
platform linux -- Python 3.6.7, pytest-5.0.1, py-1.8.0, pluggy-0.12.0
rootdir: /home/travis/build/crisely09/fdeta
plugins: cov-2.7.1
collected 2 items / 1 errors / 1 selected                                      
==================================== ERRORS ====================================
_______________ ERROR collecting fdeta/tests/test_mdinterface.py _______________
ImportError while importing test module '/home/travis/build/crisely09/fdeta/fdeta/tests/test_mdinterface.py'.
Hint: make sure your test modules/packages have valid Python names.
Traceback:
fdeta/tests/test_mdinterface.py:12: in <module>
    from fdeta.fdetmd.mdinterface import MDInterface
fdeta/fdetmd/mdinterface.py:9: in <module>
    from fdeta.fdetmd.cgrid_tools import BoxGrid
E   ModuleNotFoundError: No module named 'fdeta.fdetmd.cgrid_tools'
=============================== warnings summary ===============================
/home/travis/miniconda/envs/test/lib/python3.6/site-packages/nose/importer.py:12
  /home/travis/miniconda/envs/test/lib/python3.6/site-packages/nose/importer.py:12: DeprecationWarning: the imp module is deprecated in favour of importlib; see the module's documentation for alternative uses
    from imp import find_module, load_module, acquire_lock, release_lock
-- Docs: https://docs.pytest.org/en/latest/warnings.html
!!!!!!!!!!!!!!!!!!! Interrupted: 1 errors during collection !!!!!!!!!!!!!!!!!!!!
===================== 1 warnings, 1 error in 0.36 seconds ======================
The command "python -m pytest --ignore=lib/pybind11" exited with 2.```

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