Your message dated Wed, 01 Dec 2021 15:22:56 +0000 with message-id <e1msrrg-0001ft...@fasolo.debian.org> and subject line Bug#994785: fixed in python-ase 3.22.1-1 has caused the Debian Bug report #994785, regarding python-ase: autopkgtest regression on arm64/ppc64el: TestSlab.test_vibration_on_surface 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 ow...@bugs.debian.org immediately.) -- 994785: https://bugs.debian.org/cgi-bin/bugreport.cgi?bug=994785 Debian Bug Tracking System Contact ow...@bugs.debian.org with problems
--- Begin Message ---Source: python-ase Version: 3.22.0-1 X-Debbugs-CC: debian...@lists.debian.org Severity: serious User: debian...@lists.debian.org Usertags: regression Dear maintainer(s), With a recent upload of python-ase the autopkgtest of python-ase fails in testing when that autopkgtest is run with the binary packages of python-ase from unstable. It passes when run with only packages from testing. In tabular form: pass fail python-ase from testing 3.22.0-1 all others from testing from testing I copied some of the output at the bottom of this report. Currently this regression is blocking the migration to testing [1]. Can you please investigate the situation and fix it? More information about this bug and the reason for filing it can be found on https://wiki.debian.org/ContinuousIntegration/RegressionEmailInformation Paul [0] You can see what packages were added from the second line of the log file quoted below. The migration software adds source package from unstable to the list if they are needed to install packages from python-ase/3.22.0-1. I.e. due to versioned dependencies or breaks/conflicts. [1] https://qa.debian.org/excuses.php?package=python-ase https://ci.debian.net/data/autopkgtest/testing/arm64/p/python-ase/15401492/log.gz =================================== FAILURES =================================== ______________________ TestSlab.test_vibration_on_surface ______________________ self = <ase.test.vibrations.test_vib.TestSlab object at 0xffff796eaf70> testdir = PosixPath('/tmp/pytest-of-debci/pytest-0/test_vibration_on_surface0') def test_vibration_on_surface(self, testdir): from ase.build import fcc111, add_adsorbate ag_slab = fcc111('Ag', (4, 4, 2), a=2) n2 = Atoms('N2', positions=[[0., 0., 0.], [0., np.sqrt(2), np.sqrt(2)]]) add_adsorbate(ag_slab, n2, height=1, position='fcc') # Add an interaction between the N atoms hessian_bottom_corner = np.zeros((2, 3, 2, 3)) hessian_bottom_corner[-1, :, -2] = [1, 1, 1] hessian_bottom_corner[-2, :, -1] = [1, 1, 1] hessian = np.zeros((34, 3, 34, 3)) hessian[32:, :, 32:, :] = hessian_bottom_corner ag_slab.calc = ForceConstantCalculator(hessian.reshape((34 * 3, 34 * 3)), ref=ag_slab.copy(), f0=np.zeros((34, 3))) # Check that Vibrations with restricted indices returns correct Hessian vibs = Vibrations(ag_slab, indices=[-2, -1]) vibs.run() vibs.read() assert_array_almost_equal(vibs.get_vibrations().get_hessian(), hessian_bottom_corner) # These should blow up if the vectors don't match number of atoms vibs.summary() vibs.write_jmol() for i in range(6): # Frozen atoms should have zero displacement assert_array_almost_equal(vibs.get_mode(i)[0], [0., 0., 0.]) # The N atoms should have finite displacement > assert np.all(vibs.get_mode(i)[-2:, :]) E assert False E + where False = <function all at 0xffff83033d30>(array([[ 0.00000000e+00, -2.21811191e-17, 2.25296944e-17],\n [-1.88935009e-01, 1.88935009e-01, 1.69152862e-18]])) E + where <function all at 0xffff83033d30> = np.all /usr/lib/python3/dist-packages/ase/test/vibrations/test_vib.py:527: AssertionError ----------------------------- Captured stdout call ----------------------------- --------------------- # meV cm^-1 --------------------- 0 29.9i 241.3i 1 0.0 0.0 2 0.0 0.0 3 0.0 0.0 4 0.0 0.0 5 29.9 241.3 --------------------- Zero-point energy: 0.015 eV --------------------------- Captured stdout teardown --------------------------- Testdir: /tmp/pytest-of-debci/pytest-0/test_vibration_on_surface0 Global seed for "test/vibrations/test_vib.py:test_vibration_on_surface" was: 16
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--- Begin Message ---Source: python-ase Source-Version: 3.22.1-1 Done: Andrius Merkys <mer...@debian.org> We believe that the bug you reported is fixed in the latest version of python-ase, which is due to be installed in the Debian FTP archive. A summary of the changes between this version and the previous one is attached. Thank you for reporting the bug, which will now be closed. If you have further comments please address them to 994...@bugs.debian.org, and the maintainer will reopen the bug report if appropriate. Debian distribution maintenance software pp. Andrius Merkys <mer...@debian.org> (supplier of updated python-ase package) (This message was generated automatically at their request; if you believe that there is a problem with it please contact the archive administrators by mailing ftpmas...@ftp-master.debian.org) -----BEGIN PGP SIGNED MESSAGE----- Hash: SHA512 Format: 1.8 Date: Wed, 01 Dec 2021 09:55:43 -0500 Source: python-ase Architecture: source Version: 3.22.1-1 Distribution: unstable Urgency: medium Maintainer: Debichem Team <debichem-de...@lists.alioth.debian.org> Changed-By: Andrius Merkys <mer...@debian.org> Closes: 994785 999531 Changes: python-ase (3.22.1-1) unstable; urgency=medium . * New upstream version 3.22.1 (Closes: #999531) * Add upstream patch to fix failing tests on arm64/ppc64el (Closes: #994785) * Removing unused paragraph from debian/copyright. Checksums-Sha1: e1d5e3fe6de31a4036783f627961810eeba03825 2579 python-ase_3.22.1-1.dsc 2a1d184631cfcab4b0eae942a663641708f4ce4e 2837373 python-ase_3.22.1.orig.tar.gz da79f91c6fb318c81f1bbaae0e1f70b7f8e6e445 9576 python-ase_3.22.1-1.debian.tar.xz df2428e7b4b8a6c8e78afc250701748aa16b5e24 11914 python-ase_3.22.1-1_source.buildinfo Checksums-Sha256: 1e86ad127185895986c419abdb36abd452071e7fe6455386010c23f25bd4499d 2579 python-ase_3.22.1-1.dsc 4c2eb7a94776191bd93c8537bd1faa7d87cce53483b90b30a7c714a64a4d5cfa 2837373 python-ase_3.22.1.orig.tar.gz 0aa3eb5209f730d24cc46bcf99e9bc9ecc140a5b8e89ecf8228b2cf0e59fc879 9576 python-ase_3.22.1-1.debian.tar.xz 1f529e2b4f8036d6fb4649483c9f29c581762e07399f6c51456cb38a3d1b1124 11914 python-ase_3.22.1-1_source.buildinfo Files: 9b0da6083439c0becf2749f76d96c78a 2579 science optional python-ase_3.22.1-1.dsc 0c6fdc046cbd9627f8b74b3f6161178b 2837373 science optional python-ase_3.22.1.orig.tar.gz 32a9c0ad485e871fc5b33334699f9570 9576 science optional python-ase_3.22.1-1.debian.tar.xz 0e3d9f640b7d93c47060c6d4b8d1b950 11914 science optional python-ase_3.22.1-1_source.buildinfo -----BEGIN PGP SIGNATURE----- iQJGBAEBCgAwFiEEdyKS9veshfrgQdQe5fQ/nCc08ocFAmGnjiASHG1lcmt5c0Bk ZWJpYW4ub3JnAAoJEOX0P5wnNPKH1AsP/1UdKzcp54qbRrIliFaMdFcDWy62ojtu 7dwqM7UnJX1kroVtKC2SdBkvzgYLsfFtuNC9lZxw9WzkCzJ7pw1j9IyAbdKVAim/ Z0lLtKBrHAhSxe4XaGugs32Gy4gcylUPIz0tbvhHn5ihnre3X4b2uCnanDJFko6T iWJTFGK2pu8453sYCWsHvMu8pbUnEI76wlOpidqOsaQ4P2uyAPT0mi9w/ylEQhQE 7AWXCzV2Y3TmlVKMiQYsNDFiKagD1tHYzfNY4ax6oLsn3jwqrHf2jrcNC3htQK85 Z0tBPQqw0gLl/m1WM21i+1xHBUq/TNUnK5sQ9fteVdOJ305wvC3gZSt4Gzr718o6 fPW8CcqfjZh9sx3mPqYVDp1NfGqi5v5Aub0F30t5l09eXRYiLfFSauQ8Y44ebfL9 BTeOJ/xQYWxtRZwGk7gh47Ek31m6J1BoGKHo9ysiw/3sTzx1ZeCY9t2NeYrdPmxZ KrZUUGrQtW1SAp14y5ZczFhx99UrGPB8c6laJwsZuKWfhSCTDNHlyyAeoKbrf8ui snmAjD5bPpcI0zaAaUUwSYKWzmUr9andoq4xt6bpmoB2E8BPx5nEtPl62mso2TXU Pw8TIzgiJD5tmaTR01doXqQG9aC6hKe49DCtGubimLFUMcTLp6GQwqPyT5JYup5O R8F5aCUqUY/Y =w4jF -----END PGP SIGNATURE-----
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