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Add python3.10 #371

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Add python3.10 #371

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f5ecc7f
drop use of xtb
jthorton Mar 13, 2023
678114d
Adding 3.10 to basic tests
bieniekmateusz Apr 12, 2023
8b8425e
Reverting back to the upstream version
bieniekmateusz Apr 12, 2023
da25ef5
Correcting python version to avoid losing the trailing 0.
bieniekmateusz Apr 12, 2023
b03dc82
Adding full psi4 with python 3.10 tess
bieniekmateusz Apr 13, 2023
36eefec
Adding a range of values for testing
bieniekmateusz Apr 13, 2023
9905ba9
Psi4: enabling newer versions
bieniekmateusz Apr 13, 2023
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Psi4: enabling newer versions
@bieniekmateusz
bieniekmateusz committed Apr 13, 2023

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Learn about vigilant mode
commit 9905ba9662888ee640479b561f0334eebb992d41
2 changes: 1 addition & 1 deletion devtools/conda-envs/everything.yaml
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Original file line number Diff line number Diff line change
@@ -40,7 +40,7 @@ dependencies:
# Optional
- xtb-python
- torchani
- psi4=1.5
- psi4 >=1.5
- libint2=*=hc9558a2_9
- dftd3
- intel-openmp!=2019.5