Bump QCSubmit version

openforcefield · Apr 24, 2024 · 4539aba · 4539aba
1 parent 2a46876
commit 4539aba
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diff --git a/.github/workflows/stack.yaml → .github/workflows/full-stack.yaml b/.github/workflows/stack.yaml → .github/workflows/full-stack.yaml
@@ -64,7 +64,7 @@ jobs:
     - name: Set up conda environment
       uses: mamba-org/setup-micromamba@v1
       with:
-        environment-file: devtools/conda-envs/full.yaml
+        environment-file: devtools/conda-envs/full-stack.yaml
         create-args: python=${{ matrix.python-version }}
 
     - name: Install GROMACS & NAGL if using x86

diff --git a/devtools/conda-envs/full.yaml → devtools/conda-envs/full-stack.yaml b/devtools/conda-envs/full.yaml → devtools/conda-envs/full-stack.yaml
@@ -24,12 +24,11 @@ dependencies:
 
     # Recharge
   - qcelemental
-  - qcportal >=0.50
+  - qcportal ~=0.50
   - qcengine
   - xtb-python
   - geometric =1
 
   - openff-qcsubmit ~=0.50
-  - qcportal ==0.53
   - qcarchivetesting
   - h5py