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Merged
atravitz merged 8 commits into from
Dec 10, 2025
Merged

clean up CI env and workflow #272

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82107b3
cleaning up workflow
atravitz Dec 4, 2025
4c7718d
trim down env yaml
atravitz Dec 4, 2025
271bc4f
update naming
atravitz Dec 4, 2025
4be057f
update docs badge
atravitz Dec 4, 2025
1688b7e
rename for clarity
atravitz Dec 4, 2025
9410a6b
update environment
atravitz Dec 10, 2025
a5e9d8f
update runner name for clarity
atravitz Dec 10, 2025
8ef072e
Merge branch 'main' into maint/clean_up_ci
atravitz Dec 10, 2025
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31 changes: 0 additions & 31 deletions .binder/environment.yml
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8 changes: 0 additions & 8 deletions .binder/overrides.json
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5 changes: 0 additions & 5 deletions .binder/postBuild
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8 changes: 4 additions & 4 deletions .github/workflows/CI.yml → .github/workflows/ci.yaml
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Original file line number Diff line number Diff line change
@@ -1,4 +1,4 @@
name: full_tests
name: CI

on:
push:
Expand Down Expand Up @@ -33,15 +33,15 @@ jobs:
python-version: ["3.12"]

steps:
- uses: actions/checkout@v2.4.0
- uses: actions/checkout@v4

- name: Get current date
id: date
run: echo "date=$(date +%Y-%m-%d)" >> "${GITHUB_OUTPUT}"

- uses: mamba-org/setup-micromamba@v1
- uses: mamba-org/setup-micromamba@v2
with:
environment-file: .binder/environment.yml
environment-file: environment.yaml
cache-environment: true
cache-downloads: true
cache-environment-key: environment-${{ steps.date.outputs.date }}
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2 changes: 1 addition & 1 deletion .github/workflows/openfe-doc-build.yaml
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@@ -1,4 +1,4 @@
name: Test openfe doc build
name: Test OpenFE Docs Build

on:
workflow_dispatch:
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3 changes: 2 additions & 1 deletion README.md
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@@ -1,5 +1,6 @@
[![Logo](https://img.shields.io/badge/OSMF-OpenFreeEnergy-%23002f4a)](https://openfree.energy/)
[![full_tests](https://github.com/OpenFreeEnergy/ExampleNotebooks/actions/workflows/CI.yml/badge.svg)](https://github.com/OpenFreeEnergy/ExampleNotebooks/actions/workflows/CI.yml)
[![CI](https://github.com/OpenFreeEnergy/ExampleNotebooks/actions/workflows/ci.yaml/badge.svg)](https://github.com/OpenFreeEnergy/ExampleNotebooks/actions/workflows/CI.yml)
[![Docs](https://github.com/OpenFreeEnergy/ExampleNotebooks/actions/workflows/openfe-doc-build.yaml/badge.svg)](https://docs.openfree.energy/en/stable/?badge=stable)
[![pre-commit.ci status](https://results.pre-commit.ci/badge/github/OpenFreeEnergy/ExampleNotebooks/master.svg)](https://results.pre-commit.ci/latest/github/OpenFreeEnergy/ExampleNotebooks/main)
[![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/OpenFreeEnergy/ExampleNotebooks/blob/main/showcase/openfe_showcase.ipynb)

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17 changes: 17 additions & 0 deletions environment.yaml
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@@ -0,0 +1,17 @@
name: openfe-notebooks
channels:
- conda-forge
dependencies:
- coverage
- ipywidgets
- lxml
- nbval
- nglview
- notebook
- pip
- pytest
- pytest-cov
- pytest-xdist
- python
- gufe >=1.7.0, <1.8.0
- openfe==1.8.0