Closed chrisjonesBSU closed 2 weeks ago
The 3.12 tests won't pass until we change the gmso feedstock to pull 3.12
The failing test is caused because mdtraj
is not reading or adding the bonds from the ethane_customtype.pdb
we are using in test_from_mbuild_customtype
.
The behavior is different between mdtraj 1.9.9 and mdtraj 1.10, but I don't think it's a general bug related to reading bonds from pdb files. If I use the ch3.pdb
we have in mbuild's library, both versions of mdtraj read the bonds as expected.
Using mdtraj 1.9.9:
>>> import mdtraj as md
>>> ethane = md.load("ethane_customtype.pdb")
>>> ethane.top.n_bonds
7
>>>
Using mdtraj 1.10.0:
>>> import mdtraj as md
>>> ethane = md.load("ethane_customtype.pdb")
>>> ethane.top.n_bonds
0
>>>
Some tests are failing if they use the latest gmso, which has a bug where hoomd needs to be imported for anything using gmso.external
Fix is here: https://github.com/mosdef-hub/gmso/pull/828
I feel the amount of CI tests are running out of hand. I gonna reduce the tests matrix down a bit (only do python versions tests on linux and platforms tests on the latest python version).
I feel the amount of CI tests are running out of hand. I gonna reduce the tests matrix down a bit (only do python versions tests on linux and platforms tests on the latest python version).
That's a good idea!
I feel the amount of CI tests are running out of hand. I gonna reduce the tests matrix down a bit (only do python versions tests on linux and platforms tests on the latest python version).
This should be implemented now.
PR Summary:
mBuild and GMSO have started testing with python 3.12 and both versions of MacOS, we should do that here as well.
PR Checklist