Bug 1903952 - espresso fails to build with Python 3.10: some tests timeouted
Summary: espresso fails to build with Python 3.10: some tests timeouted
Status: NEW
Alias: None
Product: Fedora
Classification: Fedora
Component: espresso
Version: rawhide
Hardware: Unspecified
OS: Unspecified
Target Milestone: ---
Assignee: Christoph Junghans
QA Contact: Fedora Extras Quality Assurance
Depends On:
Blocks: PYTHON3.10
TreeView+ depends on / blocked
Reported: 2020-12-03 08:40 UTC by Tomáš Hrnčiar
Modified: 2021-02-10 21:13 UTC (History)
5 users (show)

Fixed In Version:
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Type: Bug

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Description Tomáš Hrnčiar 2020-12-03 08:40:28 UTC
espresso fails to build with Python 3.10.0a2.

The following tests FAILED:
	 25 - correlation (Timeout)
	 50 - rigid_bond (Timeout)
	 52 - rotational_inertia (Timeout)
	 55 - reaction_ensemble (Timeout)
	 57 - constant_pH (Timeout)
	 78 - dpd (Timeout)
	 85 - collision_detection (Timeout)
	 98 - npt (Timeout)
Errors while running CTest
gmake[3]: *** [testsuite/python/CMakeFiles/check_python.dir/build.make:79: testsuite/python/CMakeFiles/check_python] Error 8
gmake[3]: Leaving directory '/builddir/build/BUILD/espresso/mpich'
gmake[2]: Leaving directory '/builddir/build/BUILD/espresso/mpich'
gmake[2]: *** [CMakeFiles/Makefile2:1225: testsuite/python/CMakeFiles/check_python.dir/all] Error 2
gmake[1]: Leaving directory '/builddir/build/BUILD/espresso/mpich'
gmake[1]: *** [CMakeFiles/Makefile2:1177: CMakeFiles/check.dir/rule] Error 2
gmake: *** [Makefile:197: check] Error 2
error: Bad exit status from /var/tmp/rpm-tmp.JalCmv (%check)
    Bad exit status from /var/tmp/rpm-tmp.JalCmv (%check)

For the build logs, see:

For all our attempts to build espresso with Python 3.10, see:

Testing and mass rebuild of packages is happening in copr. You can follow these instructions to test locally in mock if your package builds with Python 3.10:

Let us know here if you have any questions.

Python 3.10 will be included in Fedora 35. To make that update smoother, we're building Fedora packages with early pre-releases of Python 3.10.
A build failure prevents us from testing all dependent packages (transitive [Build]Requires), so if this package is required a lot, it's important for us to get it fixed soon.
We'd appreciate help from the people who know this package best, but if you don't want to work on this now, let us know so we can try to work around it on our side.

Comment 1 Ben Cotton 2021-02-09 15:29:39 UTC
This bug appears to have been reported against 'rawhide' during the Fedora 34 development cycle.
Changing version to 34.

Comment 2 Jean-Noël Grad 2021-02-10 21:13:58 UTC
I can confirm that ESPResSo 4.1 had extremely slow tests, which caused frequent time outs in our own CI infrastructure, in particular:
- wang_landau_reaction_ensemble
- reaction_ensemble
- constant_pH
- widom_insertion
- elc_vs_analytic
- dpd
- lb
- npt
- langevin
- coulomb_tuning
- mass-and-rinertia_per_particle
- rotational-diffusion-aniso
- lb_pressure_tensor

The CTest log excerpt in the first post shows extra tests, but this might just be a cascade effect, if the testsuite is running in parallel. A test that is timing out will lock CPU resources for the duration of the timeout, causing other tests running at the same time to slow down considerably, sometimes to the point of timing out too. This happened to us in the past, when computationally demanding tests like constant_pH, reaction_ensemble or wang_landau_reaction_ensemble timed out (we allocate only 2 CPU cores to run the testsuite in CI).

We have addressed this issue in the development branch of ESPResSo by simplifying tests, running them with fewer integration steps, or splitting them into smaller tests. This effort has been carried out over a period of several months for the upcoming ESPResSo 4.2 release. The last change in that project was https://github.com/espressomd/espresso/pull/3999. A couple of tests are still taking a minute to run but can be disabled thanks to the introduction of a CTest label that flags slow test.

The changes made in the testsuite are significant and cannot be backported to the 4.1.4 release. I would suggest disabling the slowest tests when building the 4.1.4 release, for example by commenting out the wang_landau_reaction_ensemble.py, reaction_ensemble.py, constant_pH.py and npt.py tests. Runtimes of the slowest tests can be found in https://github.com/espressomd/espresso/issues/3883, although these values have been measured near the end of the testsuite refactoring project and as such, do not fully reflect the state of 4.1.4.

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