Merge pull request #272 from OpenFreeEnergy/maint/clean_up_ci

clean up CI env and workflow

Author: atravitz

.binder/environment.yml

@@ -1,4 +1,4 @@
-name: full_tests
+name: CI
 
 on:
   push:
@@ -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 }}

.binder/overrides.json

@@ -1,4 +1,4 @@
-name: Test openfe doc build
+name: Test OpenFE Docs Build
 
 on:
   workflow_dispatch:

.binder/postBuild

@@ -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)
 

.github/workflows/CI.yml .github/workflows/ci.yaml.github/workflows/CI.yml renamed to .github/workflows/ci.yaml

@@ -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