Matgenix / turbomoleio

Turbomoleio is a python package containing a set of tools for the generation of inputs and parsing of outputs for the TURBOMOLE quantum chemistry package.
https://matgenix.github.io/turbomoleio/
GNU General Public License v3.0
19 stars 9 forks source link

Problem with pexpect in define.py #25

Closed davidwaroquiers closed 1 year ago

davidwaroquiers commented 2 years ago

When using use_popen=True, there is a missing import:

Should add "import pexpect.popen_spawn".

Also add a test to make sure both options continue to work.