yuri@FreeBSD
yuri@FreeBSD
I think test dependencies are supposed to be in ```requirements-test.txt```.
> is there a PEP or something of the sort that says test dependencies should be in a single file called requirements-test? I am not a Python expert so I...
If all of requirements-optional.txt and requirements-external.txt are needed - this should be okay.
You install them into ```cmake/```, and they should go into ```lib/cmake/hpipm```.
> When did you last have this running correctly, [...] The FreeBSD port didn't run tests before. I just added the ability to run tests and discovered this problem.
> I can point out another problem is that the NWChem is not compiled with Python support. I didn't realize that NWChem has Python support. The Arch Linux [port](https://aur.archlinux.org/cgit/aur.git/tree/PKGBUILD?h=nwchem-git) doesn't...
MPI was broken on that machine. I fixed MPI, added the PYTHON option to nwchem, and updated the test log in the URL in my OP.
```geomeTRIC``` is of the latest version 0.9.7.2 released in 2019. Maybe qcengine expects the current revision? They didn't have any releases after 2019. Also log contains NWChem SEGVs. They probably...
0.21.0 test failures [py38-qcengine-0.21.0-test.log](https://github.com/MolSSI/QCEngine/files/7611207/py38-qcengine-0.21.0-test.log)
I have the same issue on FreeBSD. What is it uploading?