[bug#40691] [PATCH v2 1/1] gnu: Add gromacs.

["Ludovic Courtès" <ludo@gnu.org>]

Hi Vincent,

Vincent Legoll <vincent.legoll@gmail.com> skribis:

> From 650247f97a56f2967d068ee8b1911fae6412ce4d Mon Sep 17 00:00:00 2001
> From: Vincent Legoll <vincent.legoll@gmail.com>
> Date: Sat, 18 Apr 2020 00:14:56 +0200
> Subject: [PATCH] gnu: Add gromacs.
>
> * gnu/packages/bioinformatics.scm (gromacs): New variable.

This v2 looks alright to me, but I got this test failure on x86_64:

--8<---------------cut here---------------start------------->8---
      Start 13: HardwareUnitTests
13/52 Test #13: HardwareUnitTests ...................***Failed    0.04 sec
[==========] Running 5 tests from 2 test cases.
[----------] Global test environment set-up.
[----------] 1 test from CpuInfoTest
[ RUN      ] CpuInfoTest.SupportLevel
[       OK ] CpuInfoTest.SupportLevel (0 ms)
[----------] 1 test from CpuInfoTest (0 ms total)

[----------] 4 tests from HardwareTopologyTest
[ RUN      ] HardwareTopologyTest.Execute
[       OK ] HardwareTopologyTest.Execute (6 ms)
[ RUN      ] HardwareTopologyTest.HwlocExecute
/tmp/guix-build-gromacs-2020.1.drv-0/gromacs-2020.1/src/gromacs/hardware/tests/hardwaretopology.cpp:88: Failure
Expected: (hwTop.supportLevel()) >= (gmx::HardwareTopology::SupportLevel::Basic), actual: 4-byte object <01-00 00-00> vs 4-byte object <02-00 00-00>
Cannot determine basic hardware topology from hwloc. GROMACS will still

work, but it might affect your performance for large nodes.
Please mail gmx-developers@gromacs.org so we can try to fix it.
[  FAILED  ] HardwareTopologyTest.HwlocExecute (5 ms)
[ RUN      ] HardwareTopologyTest.ProcessorSelfconsistency
[       OK ] HardwareTopologyTest.ProcessorSelfconsistency (6 ms)
[ RUN      ] HardwareTopologyTest.NumaCacheSelfconsistency
[       OK ] HardwareTopologyTest.NumaCacheSelfconsistency (5 ms)
[----------] 4 tests from HardwareTopologyTest (22 ms total)

[----------] Global test environment tear-down
[==========] 5 tests from 2 test cases ran. (22 ms total)
[  PASSED  ] 4 tests.
[  FAILED  ] 1 test, listed below:
[  FAILED  ] HardwareTopologyTest.HwlocExecute

 1 FAILED TEST

[…]

The following tests FAILED:
         13 - HardwareUnitTests (Failed)
Errors while running CTest
make: *** [Makefile:99: test] Error 8
--8<---------------cut here---------------end--------------->8---

Could you check what the test is doing?

It may be reasonable to just skip it.

Thanks,
Ludo’.