Provide a more carefully filtered environment for subprocesses.
- More rigor in environment preparation for subprocesses: Add gmxapi.runtime.filtered_mpi_environ() and use by default for
gmxapi.commandline_operation()
(includingsolvate
in test fixtures). - Remove the env override in the test fixtures in
conftest.py
. - Update documentation and do some linting.
Ref #4421 (closed), #4423 (closed), #4736 (closed)
Closes #4736 (closed)
Edited by M. Eric Irrgang