From 6a0d405d247ff4d79b944c1ec62d2e215b6eab83 Mon Sep 17 00:00:00 2001
From: Nik Awtrey <46797896+nawtrey@users.noreply.github.com>
Date: Tue, 20 Aug 2024 21:20:16 -0700
Subject: [PATCH] Add `CITATION.cff` (#117)

* Adds `CITATION.cff` with metadata for
KDA software, KDA examples, and JCTC paper

* Updates Zenodo links in `README.md`
---
 CITATION.cff | 42 ++++++++++++++++++++++++++++++++++++++++++
 README.md    |  2 +-
 2 files changed, 43 insertions(+), 1 deletion(-)
 create mode 100644 CITATION.cff

diff --git a/CITATION.cff b/CITATION.cff
new file mode 100644
index 0000000..7b86382
--- /dev/null
+++ b/CITATION.cff
@@ -0,0 +1,42 @@
+cff-version: 1.2.0
+message: "If you use this software, please cite it as below."
+authors:
+- family-names: "Awtrey"
+  given-names: "Nikolaus Carl"
+  orcid: "https://orcid.org/0009-0000-0395-6284"
+- family-names: "Beckstein"
+  given-names: "Oliver"
+  orcid: "https://orcid.org/0000-0003-1340-0831"
+title: "Kinetic Diagram Analysis"
+version: 0.3.0
+date-released: 2024-03-11
+identifiers:
+  - description: This is the collection of archived snapshots of all versions of Kinetic Diagram Analysis
+    type: doi
+    value: "10.5281/zenodo.5826393"
+  - description: This is the archived snapshot of version 0.3.0 of Kinetic Diagram Analysis
+    type: doi
+    value: "10.5281/zenodo.10802705"
+  - description: This is the archived snapshot of version 0.3.0 of KDA Examples
+    type: doi
+    value: "10.5281/zenodo.13159638"
+license: GPL-3.0
+url: "https://github.com/Becksteinlab/kda"
+preferred-citation:
+  type: article
+  authors:
+  - family-names: "Awtrey"
+    given-names: "Nikolaus Carl"
+    orcid: "https://orcid.org/0009-0000-0395-6284"
+  - family-names: "Beckstein"
+    given-names: "Oliver"
+    orcid: "https://orcid.org/0000-0003-1340-0831"
+  doi: "10.1021/acs.jctc.4c00688"
+  journal: "Journal of Chemical Theory and Computation"
+  # month: 8
+  # start: 1 # First page number
+  # end: 10 # Last page number
+  title: "Kinetic Diagram Analysis: A Python Library for Calculating Steady-State Observables of Biochemical Systems Analytically"
+  # issue: 1
+  # volume: 1
+  year: 2024
\ No newline at end of file
diff --git a/README.md b/README.md
index ef3d29b..862ad16 100644
--- a/README.md
+++ b/README.md
@@ -5,7 +5,7 @@ Kinetic Diagram Analysis
 [![codecov](https://codecov.io/gh/Becksteinlab/kda/branch/master/graph/badge.svg)](https://codecov.io/gh/Becksteinlab/kda/branch/master)
 [![Documentation Status](https://readthedocs.org/projects/kda/badge/?version=latest)](https://kda.readthedocs.io/en/latest/?badge=latest)
 [![asv](http://img.shields.io/badge/benchmarked%20by-asv-blue.svg?style=flat)](https://github.com/Becksteinlab/kda/actions/workflows/test.yml)
-[![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.5826394.svg)](https://doi.org/10.5281/zenodo.5826394)
+[![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.5826393.svg)](https://doi.org/10.5281/zenodo.5826393)
 
 Python package used for the analysis of biochemical kinetic diagrams using the diagrammatic approach developed by [T.L. Hill](https://link.springer.com/book/10.1007/978-1-4612-3558-3).