Source: votca Version: 2023-1 Severity: serious Tags: ftbfs Justification: fails to build from source (but built successfully in the past) X-Debbugs-Cc: sramac...@debian.org
https://buildd.debian.org/status/fetch.php?pkg=votca&arch=ppc64el&ver=2023-1%2Bb1&stamp=1702939075&raw=0 248: ␛[1;31;49m*** 2 failures are detected in the test module "diabatization_test" 248: ␛[0;39;49m 249/249 Test #248: unit_test_diabatization ............................***Failed 5.97 sec Running 3 test cases... ... ... 2023-12-18 22:37:43 Data was created with basis set def2-svp ... ... 2023-12-18 22:37:43 Using RI ... ... 2023-12-18 22:37:43 Data was created with basis set def2-svp ... ... 2023-12-18 22:37:46 Dipole Moment excited state 1 0.0214404 -0.239573 -2.74726e-05 ... ... 2023-12-18 22:37:46 Dipole Moment excited state 2 0.154535 -0.885145 -1.99557e-05 ... ... 2023-12-18 22:37:46 Data was created with basis set def2-svp ... ... 2023-12-18 22:37:46 Transition Dipole Moment 0.754728 0.131574 9.25604e-06./xtp/src/tests/test_diabatization.cc(174): ␛[1;31;49merror: in "diabatization_test/GMH_coupling_test": difference{2.77807e-08} between J_ref{0.011865823910700513} and J{0.011865823581060021} exceeds 1e-06%␛[0;39;49m ./xtp/src/tests/test_diabatization.cc(175): ␛[1;31;49merror: in "diabatization_test/GMH_coupling_test": difference{0.000136136} between J_proj_ref{0.0009197395063185544} and J_proj{0.00091986471607079083} exceeds 1e-06%␛[0;39;49m ... ... 2023-12-18 22:37:48 Fragment 1 ground state 9.60042e-07 ... ... 2023-12-18 22:37:48 Fragment 2 ground state -4.64864e-06 ... ... 2023-12-18 22:37:48 Fragment 1 poulation electron -0.4994 ... ... 2023-12-18 22:37:48 Fragment 1 poulation hole 0.4994 ... ... 2023-12-18 22:37:48 Fragment 2 poulation electron -0.500599 ... ... 2023-12-18 22:37:48 Fragment 2 poulation hole 0.5006 ... ... 2023-12-18 22:37:48 dQ11 -1.41042e-06 ... ... 2023-12-18 22:37:48 Fragment 1 poulation electron -0.500138 ... ... 2023-12-18 22:37:48 Fragment 1 poulation hole 0.500138 ... ... 2023-12-18 22:37:48 dQ22 -2.05877e-06 ... ... 2023-12-18 22:37:48 Data was created with basis set def2-svp ... ... 2023-12-18 22:37:48 Fragment 1 transition -1.13604e-07 ... ... 2023-12-18 22:37:48 Fragment 2 transition -9.55366e-08 ... ... 2023-12-18 22:37:48 dQ12 -1.80674e-08 ␛[1;31;49m*** 2 failures are detected in the test module "diabatization_test" ␛[0;39;49m 99% tests passed, 1 tests failed out of 249 Total Test time (real) = 7.78 sec The following tests FAILED: 248 - unit_test_diabatization (Failed) Errors while running CTest Cheers -- Sebastian Ramacher
