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janssenhenning avatar janssenhenning commented on May 26, 2024

Oh that's unfortunate. The default documentation in readthedocs points to the docs of the develop branch. We should probably change that.
You had unlucky timing, since I only merged this feature today :D
If you wanna use it now you'll have to use the newest develop branch

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MRedies avatar MRedies commented on May 26, 2024

I did a python3 -m pip install --upgrade masci-tools, but this doesn't seem to get me to the development version.

Can I get the development version through pip?

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janssenhenning avatar janssenhenning commented on May 26, 2024

No there's no pre-release for this feature yet, which you could install through pip.

You'll have to clone the git repository, checkout the develop branch and install it with calling pip install -e . in the repository

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MRedies avatar MRedies commented on May 26, 2024

Are you sure this feature works correctly? I pulled newest version from github, where the tests pass:

Requirement already satisfied: zipp>=0.5 in /Users/alzeer/.local/lib/python3.6/site-packages (from importlib-metadata; python_version < "3.8"->SQLAlchemy<2.0.0,>=1.3.23->mendeleev->masci-tools==0.5.0)
Installing collected packages: masci-tools
  Found existing installation: masci-tools 0.4.8
    Uninstalling masci-tools-0.4.8:
      Successfully uninstalled masci-tools-0.4.8
  Running setup.py develop for masci-tools
Successfully installed masci-tools
bash-4.4$ pip3 show masci-tools
Name: masci-tools
Version: 0.5.0
Summary: Tools for Materials science. Vis contains wrappers of matplotlib functionality to visualize common material science data. Plus wrappers of visualisation for aiida-fleur workflow nodes
Home-page: https://github.com/JuDFTteam/masci-tools
Author: Jens Broeder
Author-email: [email protected]
License: MIT License, see LICENSE.txt file.
Location: /Users/alzeer/masci-tools
Requires: numpy, scipy, matplotlib, h5py, pandas, ase, bump2version, future, lxml, more-itertools, seaborn, deepdiff, humanfriendly, mendeleev
bash-4.4$ git rev-parse HEAD
84354df6022cd11519cfd5efca417eb87ccff3c3

and I still get the initial error.

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janssenhenning avatar janssenhenning commented on May 26, 2024

Yes, there is a test which is literally the code block you have 🤔
Did you restart the jupyter notebook after installing the develop version?

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MRedies avatar MRedies commented on May 26, 2024

I restarted the Kernel, which usually works for changes in my modules

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janssenhenning avatar janssenhenning commented on May 26, 2024

And the kernel corresponds to the correct python executable, where you installed the develop version?
Can you do the following without error import masci_tools.vis.data?

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MRedies avatar MRedies commented on May 26, 2024

No. This module seems unknown. I had to try a bit a few combinations untill I found a pip, that would let me install things without superuser.

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MRedies avatar MRedies commented on May 26, 2024

I don't know how jupyter selects their python kernel. Maybe you can help Mahmood next time when you are in Jülich.

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janssenhenning avatar janssenhenning commented on May 26, 2024

Yes I'll be happy to help

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