Source: python-emmet-core Version: 0.87.2-1 Severity: normal Control: forwarded -1 https://github.com/materialsproject/emmet/issues/1521
python-emmet-core is failing debci tests on 32-bit archs https://ci.debian.net/packages/p/python-emmet-core/testing/armhf/74964888/ https://ci.debian.net/packages/p/python-emmet-core/testing/i386/74676001/ From armhf: 491s =================================== FAILURES =================================== 491s _______________________ test_get_next_nearest_neighbors ________________________ 491s 491s tin_dioxide = Structure Graph 491s Structure: 491s Structure Summary 491s Lattice 491s abc : 3.24322132 4.82933499 4.83533691 491s angles : 90.0 90.0 9... 2 (0, 0, -1) 491s 1 3 (0, -1, 0) 491s 1 3 (-1, -1, 0) 491s 1 4 (0, 0, 0) 491s 1 5 (0, -1, -1) 491s 491s ba_n = Structure Graph 491s Structure: 491s Structure Summary 491s Lattice 491s abc : 4.2649267285617 4.26545425482445 7.340013623965557 491s an... 4 (0, 0, 0) 491s 3 4 (0, 1, 0) 491s 3 5 (0, 0, 0) 491s 3 5 (1, 0, 0) 491s 3 5 (1, -1, 0) 491s 491s 491s def test_get_next_nearest_neighbors(tin_dioxide, ba_n): 491s """Check getting next nearest neighbors.""" 491s sa = SiteAnalyzer(tin_dioxide) 491s info = sa.get_next_nearest_neighbors(5) 491s 491s assert len(info) == 14 491s idx = [i for i, s in enumerate(info) if s["connectivity"] == "edge"][0] 491s assert info[idx]["element"] == "O2-" 491s assert info[idx]["connectivity"] == "edge" 491s assert info[idx]["geometry"]["type"] == "trigonal planar" 491s assert info[idx]["inequiv_index"] == 2 491s 491s info = sa.get_next_nearest_neighbors(0, inc_inequivalent_site_index=False) 491s assert "inequiv_index" not in info[0] 491s 491s info = sa.get_next_nearest_neighbors(0) 491s assert info[0]["element"] == "Sn4+" 491s assert info[0]["connectivity"] == "edge" 491s assert info[0]["geometry"]["type"] == "octahedral" 491s assert len(info[0]["angles"]) == 2 491s assert info[0]["angles"][0] == pytest.approx(101.62287790513848) 491s assert info[0]["distance"] == pytest.approx(3.24322132) 491s 491s # check different structure without oxi state 491s sa = SiteAnalyzer(ba_n) 491s info = sa.get_next_nearest_neighbors(0) 491s assert len(info) == 36 491s assert info[5]["element"] == "N" 491s assert info[5]["connectivity"] == "edge" 491s assert info[5]["geometry"]["type"] == "6-coordinate" 491s assert len(info[5]["angles"]) == 2 491s > assert info[5]["angles"][0] == pytest.approx(83.91397867959587) 491s E assert 70.47423500237565 == 83.91397867959587 ± 8.4e-05 491s E 491s E comparison failed 491s E Obtained: 70.47423500237565 491s E Expected: 83.91397867959587 ± 8.4e-05 491s 491s tests/featurization/robocrys/condense/test_site.py:130: AssertionError Reported upstream, https://github.com/materialsproject/emmet/issues/1521 -- System Information: Debian Release: forky/sid APT prefers unstable APT policy: (500, 'unstable'), (1, 'experimental') Architecture: amd64 (x86_64) Kernel: Linux 7.1.13+deb14-amd64 (SMP w/8 CPU threads; PREEMPT) Locale: LANG=en_AU.UTF-8, LC_CTYPE=en_AU.UTF-8 (charmap=UTF-8), LANGUAGE=en_AU:en Shell: /bin/sh linked to /usr/bin/dash Init: systemd (via /run/systemd/system) LSM: AppArmor: enabled
