Hello, I am a new PhD student at UCLouvain (Belgium). Trying to install tkwant, I lost a lot of time with an issue I did not understand. For windows users : I suggest you to add "pip install jupyter" As : conda create -n env-tkwant python=3.7 conda activate env-tkwant conda install -c intel mpi4py conda install tkwant -c conda-forge pip install jupyter My problem was that even when activating the virtual environment in cmd, launching "jupyter notebook" did not use the virtual environment because jupyter notebook was not part of it. Thus the python version was kept to 3.8 (uncompatible with the current tkwant package), and I was receiving a "module not found error". Hoping this will be added on your website. Kind regards, Olivier Leblanc
Hello Olivier, We are aware that tkwant is not available for Python 3.8 on conda-forge. Unfortunately, as far as I understand, the underlying problem is beyond our control. Olivier Leblanc wrote:
My problem was that even when activating the virtual environment in cmd, launching "jupyter notebook" did not use the virtual environment because jupyter notebook was not part of it.
So, in other words, you installed tkwant in Python environment A and then you were surprised not to find it in Python environment B. Perhaps this can be seen as a design issue of Python virtual environments, or of Jupyter, but it’s certainly not a problem specific to Tkwant or Kwant.
Hoping this will be added on your website.
In my opinion listing possible generic problems that one may encounter when using Tkwant is beyond the scope of our web site. I think that this would render the instructions less useful by overloading them. Cheers Christoph
participants (2)
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Christoph Groth -
Olivier Leblanc