[mattwthompson]

Closes #203

[codecov-commenter]

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 83.61%. Comparing base (e6f019a) to head (57ee83a).
⚠️ Report is 1 commits behind head on main.

Additional details and impacted files

@@            Coverage Diff             @@
##             main     #204      +/-   ##
==========================================
+ Coverage   83.44%   83.61%   +0.17%     
==========================================
  Files          58       58              
  Lines        5195     5195              
==========================================
+ Hits         4335     4344       +9     
+ Misses        860      851       -9     

☔ View full report in Codecov by Harness.
📢 Have feedback on the report? Share it here.

🚀 New features to boost your workflow:

• ❄️ Test Analytics: Detect flaky tests, report on failures, and find test suite problems.

[Copilot]

🟡 Changes recommended

The change is correct and tested, but a leftover, confusing comment in the new test fixture should be removed before approval.

1 open issue

• This trailing comment appears to be a leftover development note: it just restates the tag value… · New

What changed in this PR

This PR fixes issue #203, where the pressure measured in a thermophysical property target was not propagated to the gas-phase compute config. Because tyff.TensorReporter (and the equilibrate/produce steps) require a pressure argument even for gas-phase NVT runs, the missing key caused a PressureNotDefinedError/Parsl failure. The fix promotes pressure to the shared BaseComputeConfig and ensures the VacuumGas config receives it.

Changes:

• Moved pressure: float from BulkLiquid up into the shared BaseComputeConfig TypedDict so both liquid and gas configs carry it.
• Populated pressure on the VacuumGas config in _make_enthalpy_of_vaporization_compute_configs.
• Added a dhvap_entry fixture and a test_pressure_in_gas_configs test verifying pressure is present in all generated configs.

File	Description
tyff/​configs/​_compute.py	Adds pressure to the base compute config so all phases inherit it.
tyff/​configs/​liquid.py	Removes the now-redundant pressure field from BulkLiquid.
tyff/​compute/​prep.py	Passes pressure into the gas-phase (VacuumGas) config.
tyff/​_tests/​conftest.py	Adds a dhvap_entry fixture for the enthalpy-of-vaporization case.
tyff/​_tests/​compute/​test_prep.py	Adds a test asserting pressure is present in generated configs.

_{Review effort: Balanced}