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Remove pymatgen version workaround (#14)
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ml-evs authored Dec 13, 2021
1 parent 9231550 commit 2dd0018
Showing 1 changed file with 1 addition and 17 deletions.
18 changes: 1 addition & 17 deletions notebooks/demonstration-pymatgen-for-optimade-queries.ipynb
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Expand Up @@ -127,7 +127,7 @@
"id": "f2gK8ZkZ6hMX"
},
"source": [
"Next, let us **verify the correct version of *pymatgen* is installed**. This is good practice to do before starting out! For this tutorial we need version 2022.0.17 or above (which may not be released at the time of this tutorial). We also need the `pybtex` package installed."
"Next, let us **verify the correct version of *pymatgen* is installed**. This is good practice to do before starting out! For this tutorial we need version 2022.0.17 or above. We also need the `pybtex` package installed."
]
},
{
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"version(\"pymatgen\")"
]
},
{
"cell_type": "code",
"execution_count": null,
"metadata": {},
"outputs": [],
"source": [
"# 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\n",
"# If this is not available, install directly from GitHub\n",
"\n",
"# You may not want to run this cell if you are performing the tutorial within your own Python environment\n",
"if int(version(\"pymatgen\").split(\".\")[-1]) < 17:\n",
" !pip uninstall -y pymatgen\n",
" !pip install git+https://github.com/materialsproject/pymatgen@master\n",
" !pip install pybtex"
]
},
{
"cell_type": "markdown",
"metadata": {
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