theochem / grid

Python library for numerical integration, interpolation, and differentiation on (molecular) grids.
https://grid.qcdevs.org/
GNU Lesser General Public License v3.0
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Cannot use outside of grid directory #151

Closed khuddzu closed 2 years ago

khuddzu commented 2 years ago

Hi, I might just be missing something. However I cannot import this package in my code. It tells me the module does not exist.

""" ModuleNotFoundError: No module named 'grid' """

To install I did the following:

""" git clone {ssh address}

in initial directory: pip install -e . """

I also added an init.py file in the initial directory, to see if that would be a fix, and it was not

I cannot pip install in the grid/src/grid directory because there is no setup.py

When I install it says this:

""" Running setup.py develop for grid Successfully installed grid-0.0.0 """ Is the 0.0.0 an issue?

Here are the imports I have tried: """ import grid from src import grid from grid.src import grid """

All with the same result. The module cannot be found.

Thank you!

Kate

tczorro commented 2 years ago

Hi Kate (@khuddzu), running pip install -e . along should be enough to install the package. My guess is the python you use to import grid is in the different environment as the pip. I would recommend you to run which python and which pip in the terminal and check both are in the same environment.

khuddzu commented 2 years ago

Thanks for the response! They are in the same location.

PaulWAyers commented 2 years ago

@khuddzu so it is working now? If so, please close the issue. If not, Ramon Miranda (@ramirandaq) and David (Taewon) Kim (@kimt33) are at UF and could perhaps help.

FarnazH commented 2 years ago

@khuddzu, is your problem fixed? If not, please let us and we can arrange to meet to have it fixed.

khuddzu commented 2 years ago

Sorry for delaying you. I still could not figure it out. None the less, I do not need it anymore. Thanks