From 3133230ede45d4fb7426740d9faeb332165b23b3 Mon Sep 17 00:00:00 2001
From: Mike Henry <11765982+mikemhenry@users.noreply.github.com>
Date: Mon, 28 Feb 2022 14:27:31 -0700
Subject: [PATCH 1/4] add rbfe to tests

---
 .github/workflows/CI.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.github/workflows/CI.yml b/.github/workflows/CI.yml
index f745d8c..b6715c2 100644
--- a/.github/workflows/CI.yml
+++ b/.github/workflows/CI.yml
@@ -62,4 +62,4 @@ jobs:
 
     - name: Run example notebooks
       run: |
-        python -m pytest -v setup/ --nbval-lax -n auto --dist loadscope
+        python -m pytest -v setup/ openmm-rbfe/ --nbval-lax -n auto --dist loadscope

From 9e0d921de6115a356828332380523edd6af5d01c Mon Sep 17 00:00:00 2001
From: Mike Henry <11765982+mikemhenry@users.noreply.github.com>
Date: Mon, 28 Feb 2022 14:38:31 -0700
Subject: [PATCH 2/4] add new deps + sort them

---
 .binder/environment.yml | 30 ++++++++++++++++++++++++++----
 1 file changed, 26 insertions(+), 4 deletions(-)

diff --git a/.binder/environment.yml b/.binder/environment.yml
index 7833a54..d72ea21 100644
--- a/.binder/environment.yml
+++ b/.binder/environment.yml
@@ -3,11 +3,33 @@ channels:
   - jaimergp/label/unsupported-cudatoolkit-shim
   - conda-forge
 dependencies:
-  # setup
+  - MDAnalysis
+  - click
+  - coverage
+  - mdtraj
+  - nbval
+  - networkx
+  - nglview
+  - notebook
+  - numpy
+  - openff-forcefields
+  - openff-toolkit
+  - openff-toolkit
+  - openff-toolkit
   - openmm
   - openmmforcefields
-  - openff-toolkit
-  # CI
+  - openmmforcefields
+  - openmmtools
+  - pip
+  - pymbar
+  - pytest
   - pytest
+  - pytest-cov
   - pytest-xdist
-  - nbval
+  - pytest-xdist
+  - rdkit
+  - pip:
+    - git+https://github.com/OpenFreeEnergy/Lomap@2.0.0-rc
+    - plugcli
+    - cyjupyter
+    - git+https://github.com/OpenFreeEnergy/openfe

From 523b323559d5d7d2eae288844e2482f86667afe3 Mon Sep 17 00:00:00 2001
From: Mike Henry <11765982+mikemhenry@users.noreply.github.com>
Date: Mon, 28 Feb 2022 14:55:50 -0700
Subject: [PATCH 3/4] set python version to help solver

---
 .binder/environment.yml | 1 +
 1 file changed, 1 insertion(+)

diff --git a/.binder/environment.yml b/.binder/environment.yml
index d72ea21..2092c39 100644
--- a/.binder/environment.yml
+++ b/.binder/environment.yml
@@ -22,6 +22,7 @@ dependencies:
   - openmmtools
   - pip
   - pymbar
+  - python==3.8
   - pytest
   - pytest
   - pytest-cov

From 8c46506c8f3e66d4d4641f4082b8d687850c82fa Mon Sep 17 00:00:00 2001
From: Mike Henry <11765982+mikemhenry@users.noreply.github.com>
Date: Mon, 28 Feb 2022 15:08:43 -0700
Subject: [PATCH 4/4] use python 3.9 like we do in ci

---
 .binder/environment.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.binder/environment.yml b/.binder/environment.yml
index 2092c39..a8548a9 100644
--- a/.binder/environment.yml
+++ b/.binder/environment.yml
@@ -22,7 +22,7 @@ dependencies:
   - openmmtools
   - pip
   - pymbar
-  - python==3.8
+  - python==3.9
   - pytest
   - pytest
   - pytest-cov