4.1.1rc #3246
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4.1.1rc #3246
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Codecov Report
@@ Coverage Diff @@
## 4.1 #3246 +/- ##
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+ Coverage 85% 85% +<1%
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Files 530 531 +1
Lines 26025 25985 -40
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- Hits 22157 22137 -20
+ Misses 3868 3848 -20
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Installing ESPResSo with `make install DESTDIR="/path/to/es"` will install files in the wrong folder and set an incorrect runtime path in Cython shared objects, causing import errors. See full report: espressomd#3228 (comment)
When installing ESPResSo, the C++ shared objects and Cython shared objects are stored in the same folder. Since they have the same .so extension, when importing espressomd.cluster_analysis, the file cluster_analysis.py is loaded and the file cluster_analysis.so is automatically considered a Cython shared object, and Python fails to find the Cython-specific symbol PyInit_cluster_analysis. This is remediated by giving a different name to the C++ shared object.
Install the files in a different directory and check the python and tutorials/samples tests can still run with the installed files. Please note that pypresso will experience a major slowdown in CI when located outside the build directory, hence the 3h timeout. This job is meant to be run only during releases and in PRs that add new core modules.
Takes more than 1 hour to run in CI when pypresso is located outside the build directory.
Note: in Python, a function taking positional arguments can take named arguments in any order.
Fix indentation, rename output variables, remove superfluous quotes around string variables. CMake quotes string variables implicitly when passed to functions, even if they contain whitespaces. Quotes are only necessary when setting a string variable.
When setting up the NPT integrator, then the VV integrator, the core integrator remains on NPT. Since NVT and VV are the same, we can set the core integrator to NVT when the interface is set to VV.
3184: some modifications to constant-pH tutorial Co-authored-by: Peter Košovan <peter.kosovan@natur.cuni.cz> Co-authored-by: Jonas Landsgesell <jonaslandsgesell@users.noreply.github.com> Co-authored-by: Peter Košovan <kosovan@icp.uni-stuttgart.de> Co-authored-by: Jean-Noël Grad <jgrad@icp.uni-stuttgart.de> Co-authored-by: Kai Szuttor <kai@icp.uni-stuttgart.de>
switch conditionals as suggested by JNGrad Co-Authored-By: Jean-Noël Grad <jgrad@icp.uni-stuttgart.de>
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LGTM |
3277: Removed ENGINE shear torque calculation Description of the partial merge: - Removed rotational_friction - Fixed engine_lb test - Adaped docs Co-authored-by: Florian Weik <fweik@icp.uni-stuttgart.de>
POSIX does not specify test for > 4 arguments: https://pubs.opengroup.org/onlinepubs/9699919799/utilities/test.html
Reference solutions for forces on shear planes and for stokes drag need dynamic viscosity, but LB uses kinetmatic viscosity. This switches the tests to dynamic viscosity and removes a 1/rho from the unit conversion in the script interface. Also, a force balance test is added, which does not depend on the density.
2748: Additional LB test cases * Buyancy force on a sphere in a box of fluid under gravity * Momentum conservation in a fluid with an external volume force applied and a particle with an oposite force applied Co-authored-by: Rudolf Weeber <weeber@icp.uni-stuttgart.de> Co-authored-by: Florian Weik <fweik@icp.uni-stuttgart.de>
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@junghans: merged, tagged and released. The official announcement will me made in a few hours. |
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@jngrad thanks, testing on Fedora: https://koji.fedoraproject.org/koji/taskinfo?taskID=38967783 |
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4.1.1 bugfix release.