Fix parse_environment task_config - Githubissues

MolSSI / QCEngine

Quantum chemistry program executor and IO standardizer (QCSchema).

https://molssi.github.io/QCEngine/

BSD 3-Clause "New" or "Revised" License

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Fix parse_environment task_config #427

Closed yueyericardo closed 10 months ago

yueyericardo commented 10 months ago

Description

Fixed a minor bug introduced at #400

Expected behavior

>>> os.environ["SCRATCH"] = "/my_scratch"
>>> qcng.get_config(task_config={"scratch_directory": "$SCRATCH"})
<JobConfig ncores=2 memory=2.506 scratch_directory='/my_scratch'>

observed behavior

>>> os.environ["SCRATCH"] = "/my_scratch"
>>> qcng.get_config(task_config={"scratch_directory": "$SCRATCH"})
<JobConfig ncores=2 memory=2.506 scratch_directory='$SCRATCH'>

Changelog description

Status

[x] Code base linted
[x] Ready to go

codecov[bot] commented 10 months ago

Codecov Report

Merging #427 (571b1f7) into master (cbec059) will increase coverage by 0.01%. The diff coverage is 100.00%.

Additional details and impacted files