Source: prody Version: 2.3.1+dfsg-3 Severity: serious Tags: sid trixie User: debian...@lists.debian.org Usertags: regression
Hi Maintainer The autopkgtest of prody 2.3.1+dfsg-3 is failing when tested with numpy 1:1.24.2-2 [1]. I've copied what I hope is the relevant part of the log below. Regards Graham [1] https://ci.debian.net/packages/p/prody/testing/i386/ 345s =================================== FAILURES =================================== 345s ______________________ TestANMResults.testHessianSymmetry ______________________ 345s 345s self = <prody.tests.dynamics.test_enms.TestANMResults testMethod=testHessianSymmetry> 345s 345s def testHessianSymmetry(self): 345s hessian = anm._getHessian() 345s > assert_equal(hessian, hessian.T, 'hessian is not symmetric') 345s 345s tests/dynamics/test_enms.py:123: 345s _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ 345s 345s args = (<built-in function eq>, array([[ 6.9137506 , 0.02186812, 0.9401404 , ..., 0. , 345s 0. , 0. ...33, 2.28102867], 345s [ 0. , 0. , 0. , ..., 0.89212883, 345s 2.28102867, 2.72983555]])) 345s kwds = {'err_msg': 'hessian is not symmetric', 'header': 'Arrays are not equal', 'strict': False, 'verbose': True} 345s 345s @wraps(func) 345s def inner(*args, **kwds): 345s with self._recreate_cm(): 345s > return func(*args, **kwds) 345s E AssertionError: 345s E Arrays are not equal 345s E hessian is not symmetric 345s E Mismatched elements: 6 / 51984 (0.0115%) 345s E Max absolute difference: 4.4408921e-16 345s E Max relative difference: 7.83963072e-16 345s E x: array([[ 6.913751, 0.021868, 0.94014 , ..., 0. , 0. , 345s E 0. ], 345s E [ 0.021868, 9.066915, -0.076779, ..., 0. , 0. ,... 345s E y: array([[ 6.913751, 0.021868, 0.94014 , ..., 0. , 0. , 345s E 0. ], 345s E [ 0.021868, 9.066915, -0.076779, ..., 0. , 0. ,... 345s 345s /usr/lib/python3.11/contextlib.py:81: AssertionError 345s _____________________ TestEXANMResults.testHessianSymmetry _____________________ 345s 345s self = <prody.tests.dynamics.test_enms.TestEXANMResults testMethod=testHessianSymmetry> 345s 345s def testHessianSymmetry(self): 345s hessian = exanm._getHessian() 345s > assert_equal(hessian, hessian.T, 'hessian is not symmetric') 345s 345s tests/dynamics/test_enms.py:174: 345s _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ 345s 345s args = (<built-in function eq>, array([[ 8.02436812, 0.27315085, 4.13687748, ..., 0. , 345s 0. , 0. ...01, -3.66113893], 345s [ 0. , 0. , 0. , ..., 1.48069236, 345s -3.66113893, 28.20730453]])) 345s kwds = {'err_msg': 'hessian is not symmetric', 'header': 'Arrays are not equal', 'strict': False, 'verbose': True} 345s 345s @wraps(func) 345s def inner(*args, **kwds): 345s with self._recreate_cm(): 345s > return func(*args, **kwds) 345s E AssertionError: 345s E Arrays are not equal 345s E hessian is not symmetric 345s E Mismatched elements: 148 / 13089924 (0.00113%) 345s E Max absolute difference: 8.8817842e-16 345s E Max relative difference: 2.78880522e-16 345s E x: array([[ 8.024368, 0.273151, 4.136877, ..., 0. , 0. , 345s E 0. ], 345s E [ 0.273151, 3.353604, -0.105517, ..., 0. , 0. ,... 345s E y: array([[ 8.024368, 0.273151, 4.136877, ..., 0. , 0. , 345s E 0. ], 345s E [ 0.273151, 3.353604, -0.105517, ..., 0. , 0. ,... 345s 345s /usr/lib/python3.11/contextlib.py:81: AssertionError 345s ______________________ TestANM.testBuildMatrixCoordsArray ______________________ 345s 345s self = <prody.tests.dynamics.test_enms.TestANM testMethod=testBuildMatrixCoordsArray> 345s 345s def testBuildMatrixCoordsArray(self): 345s """Test output when *coords* is an array.""" 345s 345s self.buildMatrix(COORDS) 345s > assert_equal(self.getMatrix(), self.getExpected(), 345s 'failed to get correct matrix') 345s 345s tests/dynamics/test_enms.py:288: 345s _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ 345s 345s args = (<built-in function eq>, array([[ 6.9137506 , 0.02186812, 0.9401404 , ..., 0. , 345s 0. , 0. ...33, 2.28102867], 345s [ 0. , 0. , 0. , ..., 0.89212883, 345s 2.28102867, 2.72983555]])) 345s kwds = {'err_msg': 'failed to get correct matrix', 'header': 'Arrays are not equal', 'strict': False, 'verbose': True} 345s 345s @wraps(func) 345s def inner(*args, **kwds): 345s with self._recreate_cm(): 345s > return func(*args, **kwds) 345s E AssertionError: 345s E Arrays are not equal 345s E failed to get correct matrix 345s E Mismatched elements: 1 / 51984 (0.00192%) 345s E Max absolute difference: 1.77635684e-15 345s E Max relative difference: 1.43455679e-16 345s E x: array([[ 6.913751, 0.021868, 0.94014 , ..., 0. , 0. , 345s E 0. ], 345s E [ 0.021868, 9.066915, -0.076779, ..., 0. , 0. ,... 345s E y: array([[ 6.913751, 0.021868, 0.94014 , ..., 0. , 0. , 345s E 0. ], 345s E [ 0.021868, 9.066915, -0.076779, ..., 0. , 0. ,... 345s 345s /usr/lib/python3.11/contextlib.py:81: AssertionError
