From 935cdc53c2b61603927ab083f41cd36ec9bff09e Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Iv=C3=A1n=20Pulido?= <2949729+ijpulidos@users.noreply.github.com> Date: Mon, 2 Dec 2024 03:31:44 -0500 Subject: [PATCH] Missing changes for rebranding/migration to OpenFE (#97) * Rebranding/migration to OpenFE * Using latest codecov actions version --- .github/workflows/ci.yaml | 4 ++-- CITATION.cff | 2 +- README.md | 5 +++-- docs/conf.py | 3 ++- pyproject.toml | 3 ++- rever.xsh | 2 +- 6 files changed, 11 insertions(+), 8 deletions(-) diff --git a/.github/workflows/ci.yaml b/.github/workflows/ci.yaml index 42b083c..08bc5d9 100644 --- a/.github/workflows/ci.yaml +++ b/.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 diff --git a/CITATION.cff b/CITATION.cff index 7ac13f0..58ceed9 100644 --- a/CITATION.cff +++ b/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' diff --git a/README.md b/README.md index 67718e2..663cf98 100644 --- a/README.md +++ b/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 diff --git a/docs/conf.py b/docs/conf.py index cce95b5..62cc217 100644 --- a/docs/conf.py +++ b/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 = "" diff --git a/pyproject.toml b/pyproject.toml index 805e89e..16084b9 100644 --- a/pyproject.toml +++ b/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 = "ivan.pulido@choderalab.org" } + { name = "ChoderaLab", email = "ivan.pulido@choderalab.org" }, + { name = "The Open Free Energy Development Team"} ] license = { text = "MIT" } # See https://pypi.org/classifiers/ diff --git a/rever.xsh b/rever.xsh index 1b33d21..4f10d35 100644 --- a/rever.xsh +++ b/rever.xsh @@ -1,5 +1,5 @@ $PROJECT = $GITHUB_REPO = 'feflow' -$GITHUB_ORG = 'choderalab' +$GITHUB_ORG = 'OpenFreeEnergy' $ACTIVITIES = ['changelog']