Merge branch 'JaGeo:main' into update_featurizers

.pre-commit-config.yaml

@@ -10,7 +10,7 @@ default_language_version:
   python: python3
 repos:
 - repo: https://github.com/astral-sh/ruff-pre-commit
-  rev: v0.7.0
+  rev: v0.7.2
   hooks:
   - id: ruff
     args: [--fix]
@@ -24,7 +24,7 @@ repos:
   - id: end-of-file-fixer
   - id: trailing-whitespace
 - repo: https://github.com/asottile/blacken-docs
-  rev: 1.19.0
+  rev: 1.19.1
   hooks:
   - id: blacken-docs
     additional_dependencies: [black]
@@ -37,7 +37,7 @@ repos:
   - id: rst-directive-colons
   - id: rst-inline-touching-normal
 - repo: https://github.com/pre-commit/mirrors-mypy
-  rev: v1.12.0
+  rev: v1.13.0
   hooks:
   - id: mypy
     files: lobsterpy/.*
@@ -49,10 +49,10 @@ repos:
   rev: v2.3.0
   hooks:
   - id: codespell
-    stages: [commit, commit-msg]
+    stages: [pre-commit, commit-msg]
     args: [--ignore-words-list, 'titel,alls,ans,nd,mater,nwo,te,hart,ontop,ist,ot,fo']
     types_or: [python, rst, markdown]
 - repo: https://github.com/RobertCraigie/pyright-python
-  rev: v1.1.385
+  rev: v1.1.387
   hooks:
     - id: pyright

README.md

@@ -83,10 +83,13 @@ It is also possible to start this automatic analysis from a Python script. See "
 
 
 ## How to cite?
-Please cite our paper: A. A. Naik, K. Ueltzen, C. Ertural, A. J. Jackson, J. George, *Journal of Open Source Software* **2024**, *9*, 6286. [https://joss.theoj.org/papers/10.21105/joss.06286](https://joss.theoj.org/papers/10.21105/joss.06286).
+Please cite our papers:
+* A. A. Naik, K. Ueltzen, C. Ertural, A. J. Jackson, J. George, *Journal of Open Source Software* **2024**, *9*, 6286. [https://joss.theoj.org/papers/10.21105/joss.06286](https://joss.theoj.org/papers/10.21105/joss.06286).
+* J. George, G. Petretto, A. Naik, M. Esters, A. J. Jackson, R. Nelson, R. Dronskowski, G.-M. Rignanese, G. Hautier, *ChemPlusChem* **2022**, *87*, e202200123. [https://doi.org/10.1002/cplu.202200123](https://doi.org/10.1002/cplu.202200123) (Information on the methodology of the automatic analysis)
+
 Please cite [pymatgen](https://github.com/materialsproject/pymatgen), [Lobster](https://schmeling.ac.rwth-aachen.de/cohp/index.php?menuID=1), and [ChemEnv](https://doi.org/10.1107/S2052520620007994) correctly as well.
 
-You can find more information on the methodology of the automatic analysis in J. George, G. Petretto, A. Naik, M. Esters, A. J. Jackson, R. Nelson, R. Dronskowski, G.-M. Rignanese, G. Hautier, *ChemPlusChem* **2022**, *87*, e202200123. [https://doi.org/10.1002/cplu.202200123](https://doi.org/10.1002/cplu.202200123).
+.
 
 ## LobsterPy is now a part of an atomate2 workflow
 ![LobsterWorkflow](https://github.com/JaGeo/LobsterPy/assets/22094846/337615ac-542e-446c-bc63-fb5946b16544)