[WIP] v0.10.0

.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"

CADETProcess/__init__.py

@@ -10,7 +10,7 @@
 """
 # Version information
 name = "CADET-Process"
-__version__ = "0.9.1"
+__version__ = "0.10.0"
 
 # Imports
 from .CADETProcessError import *

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
 ```

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.