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PR pyscf hotfix #158

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Jun 22, 2021
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1 change: 1 addition & 0 deletions .github/workflows/ci_chemistry.yml
Original file line number Diff line number Diff line change
Expand Up @@ -98,6 +98,7 @@ jobs:
python -m pip install -r requirements.txt
python -m pip install -e .
python -m pip install pyscf
python -m pip install 'h5py <= 3.1'
cd tests
ls
pytest test_chemistry.py
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3 changes: 2 additions & 1 deletion requirements.txt
Original file line number Diff line number Diff line change
Expand Up @@ -24,4 +24,5 @@ qulacs # default simulator (best integration), remove if the installation gives

#optional third party libraries
#pyzx

#pyscf # if used also restrict h5py version untill the issue is fixed upstream in pyscf
#h5py <= 3.1 # version 3.3.0 leads to crashes when pyscf is imported