master qcenginerecords

MolSSI · Aug 1, 2023 · 5831134 · 5831134
1 parent c96af64
commit 5831134
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Showing 3 changed files with 3 additions and 5 deletions.
diff --git a/.github/workflows/CI.yml b/.github/workflows/CI.yml
@@ -117,8 +117,7 @@ jobs:
       run: |
         qcengine info
         export QCER_VER=`python -c "import qcengine.testing; print(qcengine.testing.QCENGINE_RECORDS_COMMIT)"`
-        #pip install git+https://github.com/MolSSI/QCEngineRecords.git@${QCER_VER}#egg=qcenginerecords
-        pip install git+https://github.com/loriab/QCEngineRecords.git@${QCER_VER}
+        pip install git+https://github.com/MolSSI/QCEngineRecords.git@${QCER_VER}#egg=qcenginerecords
         python -c "import qcengine; print(qcengine.config.global_repr())"
 
     - name: PyTest

diff --git a/devtools/conda-envs/adcc.yaml b/devtools/conda-envs/adcc.yaml
@@ -7,15 +7,14 @@ dependencies:
   - adcc>=0.15.7
   - psi4=1.8.1
   - conda-forge/label/libint_dev::libint
-  - blas=*=mkl  # not needed but an example of disuading solver from openblas and old psi
 
   # Core
   - python
   - pyyaml
   - py-cpuinfo
   - psutil
   - qcelemental >=0.26.0
-  - pydantic>=1.0.0
+  - pydantic
   - msgpack-python
 
     # Testing

diff --git a/qcengine/testing.py b/qcengine/testing.py
@@ -12,7 +12,7 @@
 
 import qcengine as qcng
 
-QCENGINE_RECORDS_COMMIT = "17945e5"
+QCENGINE_RECORDS_COMMIT = "0e2fdb4"
 
 
 def _check_qcenginerecords(return_data=False):