Missing changes for rebranding/migration to OpenFE (#97)

* Rebranding/migration to OpenFE

* Using latest codecov actions version

.github/workflows/ci.yaml

@@ -85,9 +85,9 @@ jobs:
               pytest -n auto -v --cov=feflow --cov-report=xml --durations=10
 
       - name: codecov
-        if: ${{ github.repository == 'choderalab/feflow'
+        if: ${{ github.repository == 'OpenFreeEnergy/feflow'
                 && github.event_name == 'pull_request' }}
-        uses: codecov/codecov-action@v3
+        uses: codecov/codecov-action@v5
         with:
           token: ${{ secrets.CODECOV_TOKEN }}
           file: coverage.xml

CITATION.cff

@@ -26,6 +26,6 @@ authors:
   - given-names: Michael M.
     family-names: Henry
     orcid: 'https://orcid.org/0000-0002-3870-9993'
-repository-code: 'https://github.com/choderalab/feflow'
+repository-code: 'https://github.com/OpenFreeEnergy/feflow'
 version: '0.1'
 date-released: '2024-07-29'

README.md

@@ -1,8 +1,8 @@
 FE Flow
 ==============================
 [//]: # (Badges)
-[![GitHub Actions Build Status](https://github.com/choderalab/feflow/actions/workflows/ci.yaml/badge.svg)](https://github.com/choderalab/feflow/actions/workflows/ci.yaml)
-[![codecov](https://codecov.io/gh/choderalab/feflow/branch/main/graph/badge.svg)](https://codecov.io/gh/choderalab/feflow/branch/main)
+[![GitHub Actions Build Status](https://github.com/OpenFreeEnergy/feflow/actions/workflows/ci.yaml/badge.svg)](https://github.com/OpenFreeEnergy/feflow/actions/workflows/ci.yaml)
+[![codecov](https://codecov.io/gh/OpenFreeEnergy/feflow/branch/main/graph/badge.svg)](https://codecov.io/gh/OpenFreeEnergy/feflow/branch/main)
 [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.13134624.svg)](https://doi.org/10.5281/zenodo.13134624)
 
 
@@ -13,6 +13,7 @@ Recipes, utilities, and protocols for molecular free energy calculations using t
 ### Copyright
 
 Copyright (c) 2023, ChoderaLab
+Copyright (c) 2024, The Open Free Energy development team
 
 
 ### Acknowledgements

docs/conf.py

@@ -26,8 +26,9 @@
 copyright = (
     "2023, ChoderaLab. Project structure based on the "
     "Computational Molecular Science Python Cookiecutter version 1.1"
+    "2024, The OpenFE Development Team."
 )
-author = "ChoderaLab"
+author = "ChoderaLab & The OpenFE Development Team"
 
 # The short X.Y version
 version = ""

pyproject.toml

@@ -10,7 +10,8 @@ description = "Recipes and protocols for molecular free energy calculations usin
 dynamic = ["version"]
 readme = "README.md"
 authors = [
-    { name = "ChoderaLab", email = "[email protected]" }
+    { name = "ChoderaLab", email = "[email protected]" },
+    { name = "The Open Free Energy Development Team"}
 ]
 license = { text = "MIT" }
 # See https://pypi.org/classifiers/

rever.xsh

@@ -1,5 +1,5 @@
 $PROJECT = $GITHUB_REPO = 'feflow'
-$GITHUB_ORG = 'choderalab'
+$GITHUB_ORG = 'OpenFreeEnergy'
 
 $ACTIVITIES = ['changelog']