Fix pymatgen response fields issue in tutorial #9
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Lots of additional diff generated due to using a more recent jupyter version, unfortunately. Basically the only change is adding a cell that does: # There is a bug with 2020.0.15 and 2020.0.16 this has been fixed in a fork, hopefully soon to be merged and added to next pymatgen release
# If this is not available, install directly from GitHub
# You may not want to run this cell if you are performing the tutorial within your own Python environment
if int(version("pymatgen").split(".")[-1]) < 17:
!pip install git+https://github.com/ml-evs/pymatgen@fix_response_fields |
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The fix has now been merged into pymatgen, and I have verified that the install process here works. I have changed this PR to pin to master of pymatgen until the next release, and will open an issue tracking it so we can remove this workaround. Thanks again for raising this @JPBergsma, I'll merge now but feel free to take a look. |
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Hi Matthew, I just tried it in binder but when I try to execute : I get the error message : The pymatgen version is still listed as version(2022.0.16) When I only load your version,thus skipping the first code blocks. I get the error below when I execute The feed back from the installation is: |
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Thanks for this report @JPBergsma! I wonder if we are just hitting a cache somewhere... it worked in Colab before I merged, and I assumed this would be harder than binder to please... I'll make a commit that forcibly uninstalls the old version before calling
The pymatgen build metadata has not changed, so it will still register 2022.0.16 for now (bit annoying).
This looks like it is loading the right version at least, 4fc889 is the most recent commit.
This is also to be expected, the |
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7885a65 definitely works in both Colab and Binder now 😅 |
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It works for me too under Binder. |
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In Colab I still got this warning: WARNING: The following packages were previously imported in this runtime: |
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Add temporary workaround for #8 by pinning pymatgen to fixed/forked version.
This PR can be tested at Colab and Binder.