fmm_b3lyp.sh
FAIL: test_fmm_camb3lyp.sh
PASS: test_ghost.sh
PASS: test_gradient.sh
FAIL: test_input_args.sh
FAIL: test_hf.sh
PASS: test_hf_acc.sh
PASS: test_6_d_funcs.sh
PASS: test_hf_blsz1.sh
PASS: test_hf_blsz2.sh
PASS: test_hf_fd.sh
PASS: test_brh.sh
PASS: test_lr_exc.sh
PASS: test_lr_exc_hf.sh
PASS: test_lr_pol.sh
PASS: test_mixedbasis.sh
PASS: test_roks.sh
PASS: test_uhf.sh
PASS: test_ci.sh
PASS: test_homo_lumo_h2o.sh
PASS: test_many_eigv_h2o.sh
PASS: test_many_eigv_dft.sh
===================================
   ERGO 3.8: test/test-suite.log
===================================
# TOTAL: 35
# PASS:  31
# SKIP:  0
# XFAIL: 0
# FAIL:  4
# XPASS: 0
# ERROR: 0
.. contents:: :depth: 2
FAIL: test_tdhf_dynamics.sh
===========================
Testing H2 HF/6-311++Gss followed by TDHF electron dynamics
Inline main molecule with 2 atoms.
computed     -1.132507431
reference    -1.132507400
Energy OK
computed     -0.000000000
reference     0.000000000
Dipole value at time 0 OK
computed      1.651983984
reference    -0.108660000
ERROR
output file saved as ergoscf.out.error.tdhfdynamics
FAIL test_tdhf_dynamics.sh (exit status: 1)
FAIL: test_fmm_camb3lyp.sh
==========================
Testing four_h2o CAMB3LYP/6-31G using FMM
computed   -305.279056053
reference  -305.279060700
OK
Testing cnof CAMB3LYP/6-31G using FMM
Exception (std::exception) caught in es_run: 'error in SCF_restricted::get_2e_part_and_energy(): G matrix contains inf or nan.'
ERROR
output file saved as ergoscf.out.error.fmmcamb3lyp
FAIL test_fmm_camb3lyp.sh (exit status: 1)
FAIL: test_input_args.sh
========================
Testing nh3[+] UHF/6-31G** with -e arguments and regular input file
ERROR
output file saved as ergoscf.out.error.inputargs
FAIL test_input_args.sh (exit status: 1)
FAIL: test_hf.sh
================
Testing h2 with bond distance 1 au, HF/STO-3G
computed     -1.065999459
reference    -1.065999500
OK
Testing h2 with bond distance 5 au, HF/6-31G**
computed     -0.843386706
reference    -0.843386700
OK
Testing h2 with bond distance 5 au, HF/6-31G** with naive Fock mat
computed     -0.843386706
reference    -0.843386700
OK
Testing h2o HF/6-31G**
computed    -76.022643114
reference   -76.022643100
OK
Testing h2o HF/6-31++G**
computed    -76.030489137
reference   -76.030489100
OK
Testing h2o HF/cc-pVTZ
computed    -76.057163033
reference   -76.057163000
OK
Testing cnof HF/6-31G
ERROR
output file saved as ergoscf.out.error.hf
FAIL test_hf.sh (exit status: 1)
============================================================================
Testsuite summary for ERGO 3.8
============================================================================
# TOTAL: 35
# PASS:  31
# SKIP:  0
# XFAIL: 0
# FAIL:  4
# XPASS: 0
# ERROR: 0
============================================================================
See test/test-suite.log
Please report to info@ergoscf.org
============================================================================
make[3]: Leaving directory '/builddir/build/BUILD/ergo-3.8/test'
make[2]: Leaving directory '/builddir/build/BUILD/ergo-3.8/test'
make[1]: Leaving directory '/builddir/build/BUILD/ergo-3.8/test'
make[3]: *** [Makefile:570: test-suite.log] Error 1
make[2]: *** [Makefile:678: check-TESTS] Error 2
make[1]: *** [Makefile:989: check-am] Error 2
make: *** [Makefile:346: check-recursive] Error 1
error: Bad exit status from /var/tmp/rpm-tmp.2CW43L (%check)
RPM build errors:
    Bad exit status from /var/tmp/rpm-tmp.2CW43L (%check)
Child return code was: 1
EXCEPTION: [Error()]
Traceback (most recent call last):
  File "/usr/lib/python3.8/site-packages/mockbuild/trace_decorator.py", line 95, in trace
    result = func(*args, **kw)
  File "/usr/lib/python3.8/site-packages/mockbuild/util.py", line 746, in do_with_status
    raise exception.Error("Command failed: \n # %s\n%s" % (command, output), child.returncode)
mockbuild.exception.Error: Command failed: 
 # bash --login -c /usr/bin/rpmbuild -bb --target riscv64 --nodeps /builddir/build/SPECS/ergo.spec