From b624d8a8fa36286818e5bdc918ed49aaaee582ff Mon Sep 17 00:00:00 2001
From: Mike Henry <11765982+mikemhenry@users.noreply.github.com>
Date: Thu, 21 Dec 2023 13:38:51 -0700
Subject: [PATCH] more fixes to come later but this is good enough

---
 .github/workflows/ci.yaml |  2 +-
 environment.yml           | 30 ++++++------------------------
 2 files changed, 7 insertions(+), 25 deletions(-)

diff --git a/.github/workflows/ci.yaml b/.github/workflows/ci.yaml
index 59c30ce..d7a75d9 100644
--- a/.github/workflows/ci.yaml
+++ b/.github/workflows/ci.yaml
@@ -58,7 +58,7 @@ jobs:
 
       - name: "run tests"
         run: |
-          pytest -v --nbval-lax --cov=openfe_benchmarks --cov-report=xml openfe_benchmarks/tests/
+          pytest -n auto -v --nbval-lax --cov=openfe_benchmarks --cov-report=xml openfe_benchmarks/tests/
 
       - name: "codecov"
         if: "github.event != 'schedule'"
diff --git a/environment.yml b/environment.yml
index af16b51..8bedaa1 100644
--- a/environment.yml
+++ b/environment.yml
@@ -1,34 +1,16 @@
 name: openfe-benchmarks
 channels:
-  - jaimergp/label/unsupported-cudatoolkit-shim
   - conda-forge
 dependencies:
-  #- gufe
-  - pip
+  - gufe
+  - openfe
+  # testing
+  - nbval
   - pytest
   - pytest-xdist
   - pytest-cov
   - coverage
-  - lomap2
-  - nbval
-  - notebook
-  - ipywidgets
-  - rdkit
-  # Stuff that should be in openfe
-  - click
-  - mdtraj
-  - openff-forcefields
-  - openff-toolkit>=0.11
-  - openff-units>=0.1.8
-  - openff-models>=0.0.4
-  - openmm
-  - openmmtools
-  - openmmforcefields
-  - plugcli
-  - pymbar
-  - pydantic
-  - typing_extensions
+  # not sure why we don't install from conda-forge
+  - pip
   - pip:
-      - git+https://github.com/OpenFreeEnergy/gufe@main
-      - git+https://github.com/OpenFreeEnergy/openfe@main
       - py3dmol