Idaes-pse

Latest version: v2.6.0

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2.5.0

Upcoming Changes

- IDAES will be switching to the new Pyomo solver interface in the next release. Whilst this will hopefully be a smooth transition for most users, there are a few important changes to be aware of.
- The new solver interface uses a different version of the IPOPT writer (“ipopt_v2”) and thus any custom configuration options you might have set for IPOPT will not carry over and will need to be reset.
- By default, the new Pyomo linear presolver will be activated with ipopt_v2. Whilst are working to identify any bugs in the presolver, it is possible that some edge cases will remain.
- IDAES will begin deploying a new set of scaling tools and APIs over the next few releases that make use of the new solver writers.
- The old scaling tools and APIs will remain for backward compatibility but will begin to be deprecated.

New Models, Tools and Features

- New diagnostics check for near-parallel variables and constraints.
- New diagnostics tools for identifying causes of infeasibility in models.
- New example for creating a custom model of a liquid-liquid extractor unit operation.

Bug Fixes

- Fixed bug in Gibbs reactor that caused it to appear to have additional spurious degrees of freedom.
- Fixed bug in the Modular Property Framework that would cause errors when trying to use phase-based material balances with phase equilibria.
- Fixed bug in Modular Properties Framework that caused errors when initializing models with non-vapor-liquid phase equilibria.

Testing and Robustness

- Deployed the IDAES Diagnostics Toolbox to confirm that there are no structural or numerical issues in the core model libraries.
- Additional robustness tests for core model, and some associated improvements in the converge tester class.
- Fixed a number of issues that were causing unexpected warnings to be emitted during testing.

Deprecations and Removals

Removed examples for RIPE tool which has not been supported for a number of releases.

What's Changed
* Add constraint to exclude TensorFlow 2.16.1 and above by lbianchi-lbl in https://github.com/IDAES/idaes-pse/pull/1373
* Update imports of `native_types` and `pyomo_constant_types` in scaling module by Robbybp in https://github.com/IDAES/idaes-pse/pull/1366
* Restore ability to run pytest on individual files or directories by lbianchi-lbl in https://github.com/IDAES/idaes-pse/pull/1362
* Tweaks to convergence tester by andrewlee94 in https://github.com/IDAES/idaes-pse/pull/1377
* Add diagnostics tests for all unit models by andrewlee94 in https://github.com/IDAES/idaes-pse/pull/1375
* Resolve CI failures from new version (1.20.4) of spellchecker by lbianchi-lbl in https://github.com/IDAES/idaes-pse/pull/1389
* Fix target for 'fv' (flowsheet visualizer) reference by dangunter in https://github.com/IDAES/idaes-pse/pull/1391
* Updating black and rerunning it on all files by ksbeattie in https://github.com/IDAES/idaes-pse/pull/1388
* Fixing spurious DoF in Gibbs reactor model by andrewlee94 in https://github.com/IDAES/idaes-pse/pull/1393
* Update parameter sweep tool to support indexed vars by andrewlee94 in https://github.com/IDAES/idaes-pse/pull/1387
* Adding attributes to hold units used by MSContactor by andrewlee94 in https://github.com/IDAES/idaes-pse/pull/1396
* Crossflow hx by dallan-keylogic in https://github.com/IDAES/idaes-pse/pull/1382
* bug fix for issue 1364: catch AttributeError in set_scaling_from_default by jasonmbray-p66 in https://github.com/IDAES/idaes-pse/pull/1400
* Add parallel constraint/variable check to `report_numerical_issues` by Robbybp in https://github.com/IDAES/idaes-pse/pull/1385
* Address many unexpected warnings in pytest by andrewlee94 in https://github.com/IDAES/idaes-pse/pull/1403
* Renaming components by andrewlee94 in https://github.com/IDAES/idaes-pse/pull/1402
* Update the Pyomo tag to the 6.7.2 release by blnicho in https://github.com/IDAES/idaes-pse/pull/1406
* Infeasibility diagnostic tool by bknueven in https://github.com/IDAES/idaes-pse/pull/1409
* Allow upwinding in 1D Heat exchanger by dallan-keylogic in https://github.com/IDAES/idaes-pse/pull/1383
* Adding USD_2022 to units library as the most recently published value by hunterbarber in https://github.com/IDAES/idaes-pse/pull/1413
* Option to skip parallel component checks by andrewlee94 in https://github.com/IDAES/idaes-pse/pull/1417
* Update pyomo requirement to 6.7.3 by lbianchi-lbl in https://github.com/IDAES/idaes-pse/pull/1420

New Contributors
* jasonmbray-p66 made their first contribution in https://github.com/IDAES/idaes-pse/pull/1400

**Full Changelog**: https://github.com/IDAES/idaes-pse/compare/2.4.0...2.5.0

2.5.0rc1

Upcoming Changes

- IDAES will be switching to the new Pyomo solver interface in the next release. Whilst this will hopefully be a smooth transition for most users, there are a few important changes to be aware of.
- The new solver interface uses a different version of the IPOPT writer (“ipopt_v2”) and thus any custom configuration options you might have set for IPOPT will not carry over and will need to be reset.
- By default, the new Pyomo linear presolver will be activated with ipopt_v2. Whilst are working to identify any bugs in the presolver, it is possible that some edge cases will remain.
- IDAES will begin deploying a new set of scaling tools and APIs over the next few releases that make use of the new solver writers.
- The old scaling tools and APIs will remain for backward compatibility but will begin to be deprecated.

New Models, Tools and Features

- New diagnostics check for near-parallel variables and constraints.
- New diagnostics tools for identifying causes of infeasibility in models.
- New example for creating a custom model of a liquid-liquid extractor unit operation.

Bug Fixes

- Fixed bug in Gibbs reactor that caused it to appear to have additional spurious degrees of freedom.
- Fixed bug in the Modular Property Framework that would cause errors when trying to use phase-based material balances with phase equilibria.
- Fixed bug in Modular Properties Framework that caused errors when initializing models with non-vapor-liquid phase equilibria.

Testing and Robustness

- Deployed the IDAES Diagnostics Toolbox to confirm that there are no structural or numerical issues in the core model libraries.
- Additional robustness tests for core model, and some associated improvements in the converge tester class.
- Fixed a number of issues that were causing unexpected warnings to be emitted during testing.

Deprecations and Removals

Removed examples for RIPE tool which has not been supported for a number of releases.

What's Changed
* Add constraint to exclude TensorFlow 2.16.1 and above by lbianchi-lbl in https://github.com/IDAES/idaes-pse/pull/1373
* Update imports of `native_types` and `pyomo_constant_types` in scaling module by Robbybp in https://github.com/IDAES/idaes-pse/pull/1366
* Restore ability to run pytest on individual files or directories by lbianchi-lbl in https://github.com/IDAES/idaes-pse/pull/1362
* Tweaks to convergence tester by andrewlee94 in https://github.com/IDAES/idaes-pse/pull/1377
* Add diagnostics tests for all unit models by andrewlee94 in https://github.com/IDAES/idaes-pse/pull/1375
* Resolve CI failures from new version (1.20.4) of spellchecker by lbianchi-lbl in https://github.com/IDAES/idaes-pse/pull/1389
* Fix target for 'fv' (flowsheet visualizer) reference by dangunter in https://github.com/IDAES/idaes-pse/pull/1391
* Updating black and rerunning it on all files by ksbeattie in https://github.com/IDAES/idaes-pse/pull/1388
* Fixing spurious DoF in Gibbs reactor model by andrewlee94 in https://github.com/IDAES/idaes-pse/pull/1393
* Update parameter sweep tool to support indexed vars by andrewlee94 in https://github.com/IDAES/idaes-pse/pull/1387
* Adding attributes to hold units used by MSContactor by andrewlee94 in https://github.com/IDAES/idaes-pse/pull/1396
* Crossflow hx by dallan-keylogic in https://github.com/IDAES/idaes-pse/pull/1382
* bug fix for issue 1364: catch AttributeError in set_scaling_from_default by jasonmbray-p66 in https://github.com/IDAES/idaes-pse/pull/1400
* Add parallel constraint/variable check to `report_numerical_issues` by Robbybp in https://github.com/IDAES/idaes-pse/pull/1385
* Address many unexpected warnings in pytest by andrewlee94 in https://github.com/IDAES/idaes-pse/pull/1403
* Renaming components by andrewlee94 in https://github.com/IDAES/idaes-pse/pull/1402
* Update the Pyomo tag to the 6.7.2 release by blnicho in https://github.com/IDAES/idaes-pse/pull/1406
* Infeasibility diagnostic tool by bknueven in https://github.com/IDAES/idaes-pse/pull/1409
* Allow upwinding in 1D Heat exchanger by dallan-keylogic in https://github.com/IDAES/idaes-pse/pull/1383
* Adding USD_2022 to units library as the most recently published value by hunterbarber in https://github.com/IDAES/idaes-pse/pull/1413
* Option to skip parallel component checks by andrewlee94 in https://github.com/IDAES/idaes-pse/pull/1417
* Update pyomo requirement to 6.7.3 by lbianchi-lbl in https://github.com/IDAES/idaes-pse/pull/1420

New Contributors
* jasonmbray-p66 made their first contribution in https://github.com/IDAES/idaes-pse/pull/1400

**Full Changelog**: https://github.com/IDAES/idaes-pse/compare/2.4.0...2.5.0rc1

2.5.0rc0

What's Changed
* Add constraint to exclude TensorFlow 2.16.1 and above by lbianchi-lbl in https://github.com/IDAES/idaes-pse/pull/1373
* Update imports of `native_types` and `pyomo_constant_types` in scaling module by Robbybp in https://github.com/IDAES/idaes-pse/pull/1366
* Restore ability to run pytest on individual files or directories by lbianchi-lbl in https://github.com/IDAES/idaes-pse/pull/1362
* Tweaks to convergence tester by andrewlee94 in https://github.com/IDAES/idaes-pse/pull/1377
* Add diagnostics tests for all unit models by andrewlee94 in https://github.com/IDAES/idaes-pse/pull/1375
* Resolve CI failures from new version (1.20.4) of spellchecker by lbianchi-lbl in https://github.com/IDAES/idaes-pse/pull/1389
* Fix target for 'fv' (flowsheet visualizer) reference by dangunter in https://github.com/IDAES/idaes-pse/pull/1391
* Updating black and rerunning it on all files by ksbeattie in https://github.com/IDAES/idaes-pse/pull/1388
* Fixing spurious DoF in Gibbs reactor model by andrewlee94 in https://github.com/IDAES/idaes-pse/pull/1393
* Update parameter sweep tool to support indexed vars by andrewlee94 in https://github.com/IDAES/idaes-pse/pull/1387
* Adding attributes to hold units used by MSContactor by andrewlee94 in https://github.com/IDAES/idaes-pse/pull/1396
* Crossflow hx by dallan-keylogic in https://github.com/IDAES/idaes-pse/pull/1382
* bug fix for issue 1364: catch AttributeError in set_scaling_from_default by jasonmbray-p66 in https://github.com/IDAES/idaes-pse/pull/1400
* Add parallel constraint/variable check to `report_numerical_issues` by Robbybp in https://github.com/IDAES/idaes-pse/pull/1385
* Address many unexpected warnings in pytest by andrewlee94 in https://github.com/IDAES/idaes-pse/pull/1403
* Renaming components by andrewlee94 in https://github.com/IDAES/idaes-pse/pull/1402
* Update the Pyomo tag to the 6.7.2 release by blnicho in https://github.com/IDAES/idaes-pse/pull/1406
* Infeasibility diagnostic tool by bknueven in https://github.com/IDAES/idaes-pse/pull/1409
* Allow upwinding in 1D Heat exchanger by dallan-keylogic in https://github.com/IDAES/idaes-pse/pull/1383
* Adding USD_2022 to units library as the most recently published value by hunterbarber in https://github.com/IDAES/idaes-pse/pull/1413
* Option to skip parallel component checks by andrewlee94 in https://github.com/IDAES/idaes-pse/pull/1417
* Update pyomo requirement to 6.7.3 by lbianchi-lbl in https://github.com/IDAES/idaes-pse/pull/1420

New Contributors
* jasonmbray-p66 made their first contribution in https://github.com/IDAES/idaes-pse/pull/1400

**Full Changelog**: https://github.com/IDAES/idaes-pse/compare/2.4.0...2.5.0rc0

2.4

Start with our [online documentation](https://idaes-pse.readthedocs.org/en/2.4.0rc0) to get started with install instructions, examples, etc.

2.4.0

Deprecations

- Convergence Analysis tool (idaes/core/util/convergence): deprecated in favor of new Parameter Sweep tools. To be removed in v3.0.0.

New Beta Capabilities

- Parameter Sweep Tool (`idaes.core.util.parameter_sweep`)
- A new API for defining and performing parameter sweep studies on IDAES models has been developed
- Diagnostics Tools (`idaes.core.util.model_diagnostics`)
- New methods for identifying duplicate variables and constraints have been added to the diagnostics toolbox
- New tools for detecting ill conditioning in Jacobians have been developed and are available in the model_diagnostics module. These provide alternatives to the existing DegeneracyHunter toolbox, and will eventually be merged with this capability, but initial working versions have been provided as beta capabilities for interested users
- `IpoptConvergenceAnalysis` (replaces deprecated Convergence Analysis tool):
- A new tool for performing convergence analysis studies that leverages the new Parameter Sweep tools has been developed. This tool allows users to define the input parameters to their model and sampling methods for these (leveraging Pysmo's sampling tools) and to then solve their model across the sampled domains and return a summary of the solver performance (IPOPT only)

Improved Models

- Thickener model (`idaes.models.unit_models.solid_liquid.thickener`)
- Improved model to include predictive correlations for unit sizing based on settling velocity measurements (steady-state only)
- Modular Property Packages
- Added general support for calculating critical properties of mixtures using defined Equation of State modules. New API defined for Equation of State modules in order to define the necessary constraints for calculating critical properties (most EoS modules DO NOT support calculation of critical properties (yet))
- Added new methods to Cubic Equation of State module to support calculation of critical properties

2.4.0rc0

Deprecations

- Convergence Analysis tool (idaes/core/util/convergence): deprecated in favor of new Parameter Sweep tools. To be removed in v3.0.0.

New Beta Capabilities

- Parameter Sweep Tool (`idaes.core.util.parameter_sweep`)
- A new API for defining and performing parameter sweep studies on IDAES models has been developed
- Diagnostics Tools (`idaes.core.util.model_diagnostics`)
- New methods for identifying duplicate variables and constraints have been added to the diagnostics toolbox
- New tools for detecting ill conditioning in Jacobians have been developed and are available in the model_diagnostics module. These provide alternatives to the existing DegeneracyHunter toolbox, and will eventually be merged with this capability, but initial working versions have been provided as beta capabilities for interested users
- `IpoptConvergenceAnalysis` (replaces deprecated Convergence Analysis tool):
- A new tool for performing convergence analysis studies that leverages the new Parameter Sweep tools has been developed. This tool allows users to define the input parameters to their model and sampling methods for these (leveraging Pysmo's sampling tools) and to then solve their model across the sampled domains and return a summary of the solver performance (IPOPT only)

Improved Models

- Thickener model (`idaes.models.unit_models.solid_liquid.thickener`)
- Improved model to include predictive correlations for unit sizing based on settling velocity measurements (steady-state only)
- Modular Property Packages
- Added general support for calculating critical properties of mixtures using defined Equation of State modules. New API defined for Equation of State modules in order to define the necessary constraints for calculating critical properties (most EoS modules DO NOT support calculation of critical properties (yet))
- Added new methods to Cubic Equation of State module to support calculation of critical properties

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