diff --git a/.zenodo.json b/.zenodo.json index 18464891..f4483a05 100644 --- a/.zenodo.json +++ b/.zenodo.json @@ -16,6 +16,16 @@ "name": "Schunck, Florian", "orcid": "0000-0001-7245-953X", "affiliation": "Forschungszentrum Jülich" + }, + { + "name": "Klauß, Daniel", + "orcid": "0009-0005-2022-7776", + "affiliation": "Forschungszentrum Jülich" + }, + { + "name": "Lanzrath, Hannah", + "orcid": "0000-0002-2675-9002", + "affiliation": "Forschungszentrum Jülich" } ], "license": "GPL-3.0", @@ -29,7 +39,7 @@ "general rate model", "Python" ], - "version": "0.9.1", + "version": "0.10.0", "access_right": "open", "communities": [{"identifier": "open-source"}], "doi": "10.5281/zenodo.14202878" diff --git a/CADETProcess/__init__.py b/CADETProcess/__init__.py index 9b55fb6d..b1d55964 100644 --- a/CADETProcess/__init__.py +++ b/CADETProcess/__init__.py @@ -10,7 +10,7 @@ """ # Version information name = "CADET-Process" -__version__ = "0.9.1" +__version__ = "0.10.0" # Imports from .CADETProcessError import * diff --git a/docs/source/release_notes/index.md b/docs/source/release_notes/index.md index 50a7584d..b46ccf51 100644 --- a/docs/source/release_notes/index.md +++ b/docs/source/release_notes/index.md @@ -12,4 +12,5 @@ v0.7.3 v0.8.0 v0.9.0 v0.9.1 +v0.10.0 ``` diff --git a/docs/source/release_notes/v0.10.0.md b/docs/source/release_notes/v0.10.0.md new file mode 100644 index 00000000..fb3f3ac9 --- /dev/null +++ b/docs/source/release_notes/v0.10.0.md @@ -0,0 +1,60 @@ +# v0.10.0 + +**CADET-Process** v0.10.0 is the culmination of @TODO months of hard work. +It contains many new features, numerous bug-fixes, improved test coverage and better documentation. +All users are encouraged to upgrade to this release, as there are a large number of bug-fixes and optimizations. + +This release requires Python 3.10+ + +## Highlights and new features of this release + +### {mod}`CADETProcess.processModel` improvements + +- Support for unit operations with multiple ports +- Add MCT + +### {mod}`CADETProcess.comparison` improvements + +- Add Fractionation metric + +### {mod}`CADETProcess.simulator` improvements + +- Add DG + +### {mod}`CADETProcess.optimization` improvements + +- Add qNParEgo + +## Issues closed for 0.10.0 + +- [139](https://github.com/fau-advanced-separations/CADET-Process/issues/139): Conneting Outlet unit operation to other unit operation should raise an Exception. +- [151](https://github.com/fau-advanced-separations/CADET-Process/issues/151): pearsonr_mat sometimes throws divide by zero error if simulation finishes without any elution. +- [161](https://github.com/fau-advanced-separations/CADET-Process/issues/161): Difference between plot_events with minutes and with seconds. +- [178](https://github.com/fau-advanced-separations/CADET-Process/issues/178): Ax optimizer options raises exception. + +## Pull requests for 0.10.0 + +- [86](https://github.com/fau-advanced-separations/CADET-Process/pull/86): Add fractionation metric. +- [108](https://github.com/fau-advanced-separations/CADET-Process/pull/108): Add Fanout Cache. +- [109](https://github.com/fau-advanced-separations/CADET-Process/pull/109): Calculate volumetric flow from u. +- [127](https://github.com/fau-advanced-separations/CADET-Process/pull/127): Unify calling evaluation functions for individuals and populations. +- [130](https://github.com/fau-advanced-separations/CADET-Process/pull/130): Add qNParEGO Ax MOO Interface. +- [137](https://github.com/fau-advanced-separations/CADET-Process/pull/137): Always inherit cadet path. +- [138](https://github.com/fau-advanced-separations/CADET-Process/pull/138): Fix documentation for AntiLangmuir isotherm. +- [140](https://github.com/fau-advanced-separations/CADET-Process/pull/140): Fix add_concentration_profile +- [141](https://github.com/fau-advanced-separations/CADET-Process/pull/141): Adapt to new DG interface in CADET-Core. +- [142](https://github.com/fau-advanced-separations/CADET-Process/pull/142): Fix/use minutes. +- [143](https://github.com/fau-advanced-separations/CADET-Process/pull/143): Fix/inlet outlet connections. +- [148](https://github.com/fau-advanced-separations/CADET-Process/pull/148): Improve tearDown after tests. +- [149](https://github.com/fau-advanced-separations/CADET-Process/pull/149): Enable colloidal binding. +- [150](https://github.com/fau-advanced-separations/CADET-Process/pull/150): Avoid duplicate entries in user_solution_times. +- [152](https://github.com/fau-advanced-separations/CADET-Process/pull/152): Optimization improvements. +- [154](https://github.com/fau-advanced-separations/CADET-Process/pull/154): Fix plot_at_position. +- [155](https://github.com/fau-advanced-separations/CADET-Process/pull/155): Fix pearsonr_mat divide by zero error. +- [157](https://github.com/fau-advanced-separations/CADET-Process/pull/157): Add create_LWE. +- [159](https://github.com/fau-advanced-separations/CADET-Process/pull/159): Support numpy v2. +- [163](https://github.com/fau-advanced-separations/CADET-Process/pull/163): Add linear threshold parameter for mobile phase modulator +- [165](https://github.com/fau-advanced-separations/CADET-Process/pull/165): Remove setup.cfg. +- [167](https://github.com/fau-advanced-separations/CADET-Process/pull/167): Optimizer improvement v2 +- [169](https://github.com/fau-advanced-separations/CADET-Process/pull/169): Adapt to CADET-Core v5. +- [170](https://github.com/fau-advanced-separations/CADET-Process/pull/170): Fix loading of multi-cycle solutions.