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Description
A few testing bugs and completing the pytest access route. Nothing controversial. Most of this PR is autogenerated. Due diligence on review can be achieved by examining:
empirical_dispersion.py
addons.py
extern1/input.dat
tester.py
test_addons.py
Todos
psi4/
b/c would bring in incorrectly configured qcdb tests. workaround was to pytestpsi4/tests/
qcengine/config.py
withKeyError
#2548 by passing psi4's-n
to qcng for dftd3/gcp/mp2ddfmp2-freq2
ctest was registered asdfmp2-freq1
test_input.py
. See the goals there for details. Running it produces a list of flaws like the below. I'll post this to an issue for later attention. Someday this can be hooked up to GHA and replace the perl script.0 failed, 3660 passed, 96 skipped, 272 xfailed, 4 xpassed, 312 warnings in 2011.32s (0:33:31)
. For interest, the culprits over 2 minutes are:sowreap
fromruntest.py
#2554Checklist
Status