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 #872849, regarding psi4: Reconfigure libderiv for higher angular momentum 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. (NB: If you are a system administrator and have no idea what this message is talking about, this may indicate a serious mail system misconfiguration somewhere. Please contact [email protected] immediately.) -- 872849: https://bugs.debian.org/cgi-bin/bugreport.cgi?bug=872849 Debian Bug Tracking System Contact [email protected] with problems
--- Begin Message ---Package: psi4 Version: 1:1.0-1+b1 Severity: normal Dear Maintainer, * What led up to the situation? Running a KS/CC-PVQZ H2O computation with geometry optimisation * What exactly did you do (or not do) that was effective (or ineffective)? Applying the cc-pvqz basis set. Smaller sets (e. g. cc-pvtz or cc-pvdz) were ok. * What was the outcome of this action? In the output file there is an error message: ERROR: ERI - libderiv cannot handle angular momentum this high. In a fresh object directory, reconfigure libderiv for higher angular momentum, then recompile. An error has occurred python-side. Traceback (most recent call last): File "<string>", line 33, in <module> File "/usr/share/psi/python/driver.py", line 1023, in optimize G, wfn = gradient(lowername, return_wfn=True, molecule=moleculeclone, **kwargs) File "/usr/share/psi/python/driver.py", line 592, in gradient wfn = procedures['gradient'][lowername](lowername, molecule=molecule, **kwargs) File "/usr/share/psi/python/procedures/proc.py", line 2513, in run_dft_gradient wfn = run_scf_gradient(name, **kwargs) File "/usr/share/psi/python/procedures/proc.py", line 1709, in run_scf_gradient grad = psi4.scfgrad(ref_wfn) RuntimeError: X<BB><CE><D0>%^? * What outcome did you expect instead? The application running successfully to the end -- System Information: Debian Release: buster/sid APT prefers unstable APT policy: (500, 'unstable') Architecture: amd64 (x86_64) Kernel: Linux 4.12.0-1-amd64 (SMP w/2 CPU cores) Locale: LANG=de_DE.UTF-8, LC_CTYPE=de_DE.UTF-8 (charmap=UTF-8), LANGUAGE=de_DE.UTF-8 (charmap=UTF-8) Shell: /bin/sh linked to /bin/dash Init: systemd (via /run/systemd/system) Versions of packages psi4 depends on: ii libblas3 [libblas.so.3] 3.7.1-1 ii libc6 2.24-15 ii libchemps2-2 1.8.4-2 ii libgcc1 1:7.2.0-1 ii libgomp1 7.2.0-1 ii libhdf5-100 1.10.0-patch1+docs-4 ii libint1 1.1.6-2+b1 ii liblapack3 [liblapack.so.3] 3.7.1-1 ii libpython2.7 2.7.13-4 ii libstdc++6 7.2.0-1 ii libsz2 0.3.2-2 ii psi4-data 1:1.0-1 ii zlib1g 1:1.2.8.dfsg-5 psi4 recommends no packages. psi4 suggests no packages. -- no debconf information
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--- 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)
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