Your message dated Tue, 26 May 2026 10:07:18 +0000
with message-id <[email protected]>
and subject line Bug#1133296: Removed package(s) from unstable
has caused the Debian Bug report #1102525,
regarding psi4: autopkgtest failure on s390x
to be marked as done.
This means that you claim that the problem has been dealt with.
If this is not the case it is now your responsibility to reopen the
Bug report if necessary, and/or fix the problem forthwith.
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--
1102525: https://bugs.debian.org/cgi-bin/bugreport.cgi?bug=1102525
Debian Bug Tracking System
Contact [email protected] with problems
--- Begin Message ---
Source: psi4
Version: 1:1.3.2+dfsg-6
Severity: serious
X-Debbugs-Cc: Michael Banck <[email protected]>
https://tracker.debian.org/pkg/psi4
Issues preventing migration:
∙ ∙ autopkgtest for psi4/1:1.3.2+dfsg-6: amd64: Pass, arm64: Pass, armel: Pass,
armhf: Pass, i386: Pass, ppc64el: Pass, riscv64: Pass, s390x: Regression or new
test ♻
...
87s Running test sapt1... FAILED
87s LOG:
87s
87s
87s 2025-03-20 04:09
87s Traceback (most recent call last):
87s File "/usr/bin/psi4", line 287, in <module>
87s exec(content)
87s ~~~~^^^^^^^^^
87s File "<string>", line 50, in <module>
87s File "/usr/lib/s390x-linux-gnu/psi4/driver/driver.py", line 556, in
energy
87s wfn = procedures['energy'][lowername](lowername, molecule=molecule,
**kwargs)
87s File "/usr/lib/s390x-linux-gnu/psi4/driver/procrouting/proc.py", line
3404, in run_sapt
87s e_sapt = core.sapt(dimer_wfn, monomerA_wfn, monomerB_wfn)
87s
87s RuntimeError:
87s Fatal Error: Laplace Quadrature requested for (E_HUMO -
E_LOMO)/(E_LUMO-E_HOMO) > 7.0 * 10^12, quadratures are not designed for this
range.
87s Error occurred in file: ./psi4/src/psi4/lib3index/denominator.cc on line:
607
87s The most recent 5 function calls were:
87s
87s psi::PsiException::PsiException(std::__cxx11::basic_string<char,
std::char_traits<char>, std::allocator<char> >, char const*, int)
87s psi::SAPTLaplaceDenominator::decompose()
87s
psi::SAPTLaplaceDenominator::SAPTLaplaceDenominator(std::shared_ptr<psi::Vector>,
std::shared_ptr<psi::Vector>, std::shared_ptr<psi::Vector>,
std::shared_ptr<psi::Vector>, double, bool)
87s psi::SAPTDenominator::buildDenominator(std::__cxx11::basic_string<char,
std::char_traits<char>, std::allocator<char> > const&,
std::shared_ptr<psi::Vector>, std::shared_ptr<psi::Vector>,
std::shared_ptr<psi::Vector>, std::shared_ptr<psi::Vector>, double, bool)
87s
87s
87s Printing out the relevant lines from the Psithon --> Python processed
input file:
87s core.set_global_option("SCF_TYPE", "df")
87s core.set_global_option("SAD_PRINT", 2)
87s core.set_global_option("D_CONVERGENCE", 11)
87s core.set_global_option("PUREAM", "true")
87s core.set_global_option("PRINT", 1)
87s --> energy('sapt0', molecule=ethene_ethyne)
87s Eelst = psi4.core.variable("SAPT ELST ENERGY")
87s Eexch = psi4.core.variable("SAPT EXCH ENERGY")
87s Eind = psi4.core.variable("SAPT IND ENERGY")
87s Edisp = psi4.core.variable("SAPT DISP ENERGY")
87s ET = psi4.core.variable("SAPT0 TOTAL ENERGY")
87s
...
147s Some tests failed
148s autopkgtest [04:10:16]: test testsuite.sh: -----------------------]
148s testsuite.sh FAIL non-zero exit status 1
Adding sapt1 to the test skips in debian/tests/testsuite.sh
would be the easiest way to get this package into trixie.
--- End Message ---
--- Begin Message ---
Version: 1:1.3.2+dfsg-6+rm
Dear submitter,
as the package psi4 has just been removed from the Debian archive
unstable we hereby close the associated bug reports. We are sorry
that we couldn't deal with your issue properly.
For details on the removal, please see https://bugs.debian.org/1133296
The version of this package that was in Debian prior to this removal
can still be found using https://snapshot.debian.org/.
Please note that the changes have been done on the master archive and
will not propagate to any mirrors until the next dinstall run at the
earliest.
This message was generated automatically; if you believe that there is
a problem with it please contact the archive administrators by mailing
[email protected].
Debian distribution maintenance software
pp.
Thorsten Alteholz (the ftpmaster behind the curtain)
--- End Message ---
