Update DOIs & citations

Author: schneiderfelipe

README.md

@@ -28,8 +28,10 @@ src="https://pepy.tech/badge/overreact/month" alt="downloads/month" /></a> <a
 href="https://pepy.tech/project/overreact" ><img
 src="https://pepy.tech/badge/overreact" alt="total downloads" /></a> </p>
 
-<p> <a href="https://zenodo.org/badge/latestdoi/214332027" ><img
-src="https://zenodo.org/badge/214332027.svg" alt="DOI" /></a> </p>
+<p> <a href="https://doi.org/10.1002/jcc.26861" ><img
+src="https://img.shields.io/badge/DOI-10.1002%2Fjcc.26861-blue" alt="DOI" /></a>
+<a href="https://doi.org/10.5281/zenodo.5730603"><img
+src="https://zenodo.org/badge/DOI/10.5281/zenodo.5730603.svg" alt="DOI" /></a> /p>
 
 <p> <a href="https://github.com/geem-lab/overreact#funding" ><img
 src="https://img.shields.io/badge/made%20in-Brazil-009c3b" alt="Made in Brazil
@@ -123,24 +125,22 @@ If you use **overreact** in your research, please cite:
 > F. S. S. Schneider and G. F. Caramori. _**geem-lab/overreact**: a tool for
 > creating and analyzing microkinetic models built from computational chemistry
 > data, v1.0.2_. **2021**.
-> [DOI:10.5281/zenodo.5730603](https://zenodo.org/badge/latestdoi/214332027).
+> [doi:10.1002/jcc.26861](https://doi.org/10.1002/jcc.26861).
 > Freely available at: <<https://github.com/geem-lab/overreact>>.
 
 Here's the reference in [BibTeX](http://www.bibtex.org/) format:
 
 ```bibtex
-@misc{overreact2021,
-  howpublished = {\url{https://github.com/geem-lab/overreact}}
-  year = {2021},
-  author = {Schneider, F. S. S. and Caramori, G. F.},
-  title = {
-    \textbf{geem-lab/overreact}: a tool for creating and analyzing
-    microkinetic models built from computational chemistry data, v1.0.2
-  },
-  doi = {10.5281/zenodo.5730603},
-  url = {https://zenodo.org/record/5730603},
-  publisher = {Zenodo},
-  copyright = {Open Access}
+@article{2022,
+  title={Overreact, an in silico lab: Automative quantum chemical microkinetic simulations for complex chemical reactions},
+  ISSN={1096-987X},
+  url={http://dx.doi.org/10.1002/jcc.26861},
+  DOI={10.1002/jcc.26861},
+  journal={Journal of Computational Chemistry},
+  publisher={Wiley},
+  author={Schneider, Felipe S. S. and Caramori, Giovanni F.},
+  year={2022},
+  month={Apr}
 }
 ```
 

overreact/__init__.py

@@ -39,23 +39,36 @@
 __url_pypi__ = "https://pypi.org/project/overreact/"
 __url_guide__ = "https://geem-lab.github.io/overreact-guide/"
 
-__doi__ = "10.5281/zenodo.5730603"
-__citation__ = r"""
-@misc{overreact2021,
+__doi__ = "10.1002/jcc.26861"
+__zenodo_doi__ = "10.5281/zenodo.5730603"
+__citations__ = (
+    r"""
+@article{overreact_paper2022,
+  title        = {Overreact, an in silico lab: Automative quantum chemical microkinetic simulations for complex chemical reactions},
+  url          = {http://dx.doi.org/DOI_PLACEHOLDER},
+  author       = {Schneider, Felipe S. S. and Caramori, Giovanni F.},
+  DOI          = {DOI_PLACEHOLDER},
+  ISSN         = {1096-987X},
+  journal      = {Journal of Computational Chemistry},
+  publisher    = {Wiley},
+  year         = {2022},
+  month        = {Apr}
+}
+@software{overreact_software2021,
+  title        = {geem-lab/overreact: vVERSION_PLACEHOLDER | Zenodo},
+  version      = {vVERSION_PLACEHOLDER},
   howpublished = {\url{URL_REPO_PLACEHOLDER}},
-  year = {2021},
-  author = {Schneider, F. S. S. and Caramori, G. F.},
-  title = {
-    \textbf{geem-lab/overreact}: a tool for creating and analyzing
-    microkinetic models built from computational chemistry data, v1.0.2
-  },
-  doi = {DOI_PLACEHOLDER},
-  url = {https://zenodo.org/record/5730603},
-  publisher = {Zenodo},
-  copyright = {Open Access}
+  url          = {https://doi.org/ZENODO_DOI_PLACEHOLDER},
+  author       = {Schneider, Felipe S. S. and Caramori, Giovanni F.},
+  DOI          = {ZENODO_DOI_PLACEHOLDER},
+  publisher    = {Zenodo},
+  year         = {2021},
+  month        = {Nov}
 }
 """.replace(
-    "DOI_PLACEHOLDER", __doi__
-).replace(
-    "URL_REPO_PLACEHOLDER", __url_repo__
+        "DOI_PLACEHOLDER", __doi__
+    )
+    .replace("ZENODO_DOI_PLACEHOLDER", __zenodo_doi__)
+    .replace("URL_REPO_PLACEHOLDER", __url_repo__)
+    .replace("VERSION_PLACEHOLDER", __version__)
 )

overreact/_cli.py

@@ -748,7 +748,7 @@ def main(arguments=None):
 
         Licensed under the terms of the {rx.__license__} License.
         If you publish work using this software, please cite
-        https://doi.org/{rx.__doi__}.
+        https://doi.org/{rx.__doi__} and https://doi.org/{rx.__zenodo_doi__}.
         """,
         formatter_class=argparse.ArgumentDefaultsHelpFormatter,
     )
@@ -878,10 +878,12 @@ def main(arguments=None):
 Licensed under the terms of the
 [{rx.__license__} License]({rx.__url_repo__}/blob/main/LICENSE).
 If you publish work using this software, **please cite
-[DOI:{rx.__doi__}](https://zenodo.org/badge/latestdoi/214332027)**:
+[doi:{rx.__doi__}](https://doi.org/{rx.__doi__})
+*and*
+[doi:{rx.__zenodo_doi__}](https://doi.org/{rx.__zenodo_doi__})**:
 
 ```
-{rx.__citation__}
+{rx.__citations__}
 ```
 
 Read the user guide at [{rx.__url_guide__}]({rx.__url_guide__}) for more information

pyproject.toml

@@ -42,7 +42,7 @@ classifiers = [
 "Bug Tracker" = "https://github.com/geem-lab/overreact/issues"
 "Discussions" = "https://github.com/geem-lab/overreact/discussions"
 
-"Citation" = "https://zenodo.org/badge/latestdoi/214332027"
+"Citation" = "https://doi.org/10.1002/jcc.26861"
 
 [tool.poetry.scripts]
 overreact = 'overreact._cli:main'