python-ase fails to build with Python 3.10.0a6. + python -m ase test --verbose platform Linux-5.10.7-200.fc33.x86_64-x86_64-with-glibc2.33.9000 python-3.10.0a6 /builddir/build/BUILD/ase-3.19.1/bin/python ase-3.19.1 /builddir/build/BUILD/ase-3.19.1/build/lib/ase/ numpy-1.20.1 /usr/lib64/python3.10/site-packages/numpy/ scipy-1.6.1 /usr/lib64/python3.10/site-packages/scipy/ test directory /tmp/ase-test-9o229kqp Enabled calculators: emt number of processes 2 time Mon Mar 8 07:32:08 2021 Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. BFGSLineSearch: 0[ 0] 07:32:08 4.035042* 1.1099 BFGSLineSearch: 1[ 1] 07:32:08 3.945642* 0.4608 BFGSLineSearch: 2[ 2] 07:32:08 3.932762* 0.1573 BFGSLineSearch: 3[ 3] 07:32:08 3.931335* 0.0135 BFGSLineSearch: 4[ 4] 07:32:08 3.931324* 0.0003 Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. BFGSLineSearch: 0[ 0] 07:32:08 4.035042* 1.1099 BFGSLineSearch: 1[ 1] 07:32:08 3.945642* 0.4608 BFGSLineSearch: 2[ 2] 07:32:08 3.932762* 0.1573 BFGSLineSearch: 3[ 3] 07:32:08 3.931335* 0.0135 BFGSLineSearch: 4[ 4] 07:32:08 3.931324* 0.0003 Step Time Energy fmax BFGS: 0 07:32:08 7.561109 16.2844 [ 1.27279221 1.27279221 1.82868705] 3.9313244937607417 [ 1.78190909 1.27279221 1.82868705] 4.243308366017629 [ 2.29102597 1.27279221 1.82868705] 4.807729787580028 [ 2.80014285 1.27279221 1.82868705] 4.80772978758003 [ 3.30925974 1.27279221 1.82868705] 4.243308366017628 [ 3.81837662 1.27279221 1.82868705] 3.931324493760753 Step Time Energy fmax BFGS: 0 07:32:08 4.807730 4.2279 BFGS: 1 07:32:08 4.666306 3.3810 BFGS: 1 07:32:08 6.522155 12.8277 BFGS: 2 07:32:09 4.552512 2.6100 BFGS: 3 07:32:09 4.465836 1.9212 BFGS: 2 07:32:09 5.585341 9.9352 BFGS: 4 07:32:09 4.404185 1.3138 BFGS: 3 07:32:09 4.813412 7.5171 BFGS: 5 07:32:10 4.364972 0.7860 BFGS: 4 07:32:10 4.198699 5.4974 BFGS: 6 07:32:10 4.345537 0.3450 BFGS: 5 07:32:10 3.721432 3.8142 BFGS: 7 07:32:10 4.342508 0.1578 BFGS: 8 07:32:11 4.343133 0.1610 BFGS: 6 07:32:11 3.361445 2.4200 BFGS: 9 07:32:11 4.344384 0.1647 BFGS: 7 07:32:11 3.107775 1.3197 BFGS: 10 07:32:11 4.347314 0.1607 BFGS: 8 07:32:12 2.946984 0.8860 BFGS: 11 07:32:12 4.351393 0.1566 BFGS: 12 07:32:12 4.354994 0.1975 BFGS: 9 07:32:12 2.845434 0.6057 BFGS: 13 07:32:12 4.357831 0.1843 BFGS: 14 07:32:12 4.359108 0.1324 BFGS: 15 07:32:12 4.359732 0.1311 BFGS: 16 07:32:12 4.359809 0.0818 BFGS: 10 07:32:13 2.780295 0.4077 BFGS: 17 07:32:13 4.360033 0.0373 [ 1.27279221 1.27279221 1.82868705] 3.9313244937607417 [ 1.7659821 1.27279221 1.96719791] 4.140682131847802 [ 2.27778754 1.27279221 2.08929688] 4.335185985903331 [ 2.55928154 1.27279221 2.10925228] 4.360032966541432 [ 3.31648802 1.27279221 1.9677217 ] 4.14528661924233 [ 3.81837662 1.27279221 1.82868705] 3.931324493760753 Writing vib.eq.pckl Writing vib.4x-.pckl Writing vib.4x+.pckl Writing vib.4y-.pckl Writing vib.4y+.pckl Writing vib.4z-.pckl Writing vib.4z+.pckl [ 81.26517153+0.j 81.26517153+0.j 144.81156978+0.j] --------------------- # meV cm^-1 --------------------- 0 10.1 81.3 1 10.1 81.3 2 18.0 144.8 --------------------- Zero-point energy: 0.019 eV [[ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 2.62872116e-16 -7.80344501e-16 9.62838138e-02]] Step Time Energy fmax BFGS: 0 07:32:13 7.561109 16.2844 BFGS: 11 07:32:13 2.737771 0.4945 BFGS: 1 07:32:13 6.529916 12.8222 BFGS: 2 07:32:13 5.596620 9.9131 BFGS: 3 07:32:13 4.821491 7.4731 BFGS: 4 07:32:13 4.201408 5.4334 BFGS: 5 07:32:13 3.719580 3.7361 BFGS: 6 07:32:14 3.357249 2.3349 BFGS: 12 07:32:14 2.708078 0.5541 BFGS: 7 07:32:14 3.095982 1.1971 BFGS: 8 07:32:14 2.930835 0.8017 BFGS: 9 07:32:14 2.834209 0.5393 BFGS: 10 07:32:14 2.775042 0.4266 BFGS: 11 07:32:14 2.735600 0.5573 BFGS: 13 07:32:14 2.685197 0.5318 BFGS: 12 07:32:14 2.706804 0.5780 BFGS: 13 07:32:14 2.683271 0.5199 BFGS: 14 07:32:14 2.660555 0.4011 BFGS: 15 07:32:14 2.635789 0.3528 BFGS: 14 07:32:14 2.664499 0.4471 BFGS: 16 07:32:14 2.610006 0.3677 BFGS: 17 07:32:14 2.590406 0.2977 BFGS: 18 07:32:14 2.576442 0.2116 BFGS: 19 07:32:14 2.563150 0.1527 BFGS: 20 07:32:14 2.554476 0.1167 BFGS: 15 07:32:14 2.641897 0.3138 BFGS: 21 07:32:14 2.550559 0.1197 BFGS: 22 07:32:14 2.547701 0.1107 BFGS: 23 07:32:15 2.544998 0.0910 BFGS: 24 07:32:15 2.542361 0.0717 BFGS: 25 07:32:15 2.540222 0.0512 BFGS: 26 07:32:15 2.539040 0.0446 BFGS: 16 07:32:15 2.616420 0.3685 Step Time Energy fmax BFGS: 0 07:32:15 7.561109 16.2844 BFGS: 1 07:32:15 6.529916 12.8222 BFGS: 2 07:32:15 5.596620 9.9131 BFGS: 3 07:32:15 4.821491 7.4731 BFGS: 17 07:32:15 2.594181 0.3291 BFGS: 4 07:32:15 4.201408 5.4334 BFGS: 5 07:32:15 3.719580 3.7361 BFGS: 6 07:32:15 3.357249 2.3349 BFGS: 7 07:32:15 3.095982 1.1971 BFGS: 18 07:32:15 2.578841 0.2412 BFGS: 8 07:32:15 2.930835 0.8017 BFGS: 9 07:32:15 2.834209 0.5393 BFGS: 10 07:32:15 2.775042 0.4266 BFGS: 11 07:32:15 2.735600 0.5573 BFGS: 12 07:32:15 2.706804 0.5780 BFGS: 19 07:32:16 2.567436 0.1715 BFGS: 13 07:32:16 2.683271 0.5199 BFGS: 14 07:32:16 2.660555 0.4011 BFGS: 15 07:32:16 2.635789 0.3528 BFGS: 16 07:32:16 2.610006 0.3677 BFGS: 17 07:32:16 2.590406 0.2977 BFGS: 20 07:32:16 2.556763 0.1138 BFGS: 18 07:32:16 2.576442 0.2116 BFGS: 19 07:32:16 2.563150 0.1527 BFGS: 20 07:32:16 2.554476 0.1167 BFGS: 21 07:32:16 2.550559 0.1197 BFGS: 21 07:32:16 2.551125 0.1180 BFGS: 22 07:32:16 2.547701 0.1107 BFGS: 23 07:32:16 2.544998 0.0910 BFGS: 24 07:32:16 2.542361 0.0717 BFGS: 25 07:32:16 2.540222 0.0512 BFGS: 26 07:32:16 2.539040 0.0446 BFGS: 22 07:32:16 2.547981 0.1181 BFGS: 23 07:32:17 2.545184 0.1046 BFGS: 24 07:32:17 2.542562 0.0817 BFGS: 25 07:32:17 2.539999 0.0613 BFGS: 26 07:32:17 2.538145 0.0470 Step Time Energy fmax BFGS: 0 07:32:18 7.561109 16.2844 BFGS: 1 07:32:18 6.522155 12.8277 BFGS: 2 07:32:18 5.585341 9.9352 BFGS: 3 07:32:19 4.813412 7.5171 BFGS: 4 07:32:19 4.198699 5.4974 BFGS: 5 07:32:19 3.721432 3.8142 BFGS: 6 07:32:20 3.361445 2.4200 BFGS: 7 07:32:20 3.107775 1.3197 BFGS: 8 07:32:20 2.946984 0.8860 BFGS: 9 07:32:20 2.845434 0.6057 BFGS: 10 07:32:21 2.780295 0.4077 BFGS: 11 07:32:21 2.737771 0.4945 BFGS: 12 07:32:21 2.708078 0.5541 Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. BFGSLineSearch: 0[ 0] 07:32:22 2.808888* 0.0775 BFGS: 13 07:32:22 2.685197 0.5318 BFGSLineSearch: 1[ 1] 07:32:22 2.807165* 0.0281 2.06698194767 2.08219265984 2.07846096908 Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. BFGSLineSearch: 0[ 0] 07:32:22 3.148897* 3.2834 BFGSLineSearch: 1[ 1] 07:32:22 2.784790* 0.9054 BFGSLineSearch: 2[ 2] 07:32:22 2.697266* 0.2665 BFGSLineSearch: 3[ 3] 07:32:22 2.685797* 0.1211 BFGS: 14 07:32:22 2.664499 0.4471 BFGSLineSearch: 4[ 4] 07:32:22 2.682083* 0.0553 BFGSLineSearch: 5[ 5] 07:32:22 2.681375* 0.0312 Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. BFGSLineSearch: 0[ 0] 07:32:22 2.797809* 0.7990 BFGSLineSearch: 1[ 1] 07:32:22 2.732047* 0.4597 BFGS: 15 07:32:22 2.641897 0.3138 BFGSLineSearch: 2[ 2] 07:32:22 2.702285* 0.2008 BFGSLineSearch: 3[ 3] 07:32:22 2.694408* 0.1018 BFGSLineSearch: 4[ 4] 07:32:22 2.689178* 0.0710 BFGSLineSearch: 5[ 5] 07:32:22 2.686936* 0.0725 BFGSLineSearch: 6[ 6] 07:32:22 2.684538* 0.0720 BFGS: 16 07:32:22 2.616420 0.3685 BFGSLineSearch: 7[ 7] 07:32:22 2.683434* 0.0486 BFGS: 17 07:32:23 2.594181 0.3291 BFGS: 18 07:32:23 2.578841 0.2412 BFGS: 19 07:32:23 2.567436 0.1715 BFGS: 20 07:32:23 2.556763 0.1138 BFGS: 21 07:32:24 2.551125 0.1180 BFGS: 22 07:32:24 2.547981 0.1181 BFGS: 23 07:32:24 2.545184 0.1046 BFGS: 24 07:32:24 2.542562 0.0817 BFGS: 25 07:32:24 2.539999 0.0613 BFGS: 26 07:32:24 2.538145 0.0470 Relax initial image Step Time Energy fmax BFGS: 0 07:32:24 2.808888 0.0775 BFGS: 1 07:32:25 2.808490 0.0706 BFGS: 2 07:32:25 2.807016 0.0397 2.0644180317 2.08255862816 2.07846096908 Step Time Energy fmax BFGS: 0 07:32:25 3.144034 3.2609 BFGS: 1 07:32:25 2.945854 2.2174 BFGS: 2 07:32:25 2.825127 1.4094 BFGS: 3 07:32:25 2.757236 0.7758 BFGS: 4 07:32:25 2.723413 0.4125 BFGS: 5 07:32:25 2.710171 0.3532 BFGS: 6 07:32:25 2.701193 0.2926 BFGS: 7 07:32:25 2.692812 0.2074 BFGS: 8 07:32:25 2.688386 0.1486 BFGS: 9 07:32:25 2.686206 0.0967 BFGS: 10 07:32:25 2.684995 0.0989 BFGS: 11 07:32:25 2.683638 0.0779 BFGS: 12 07:32:25 2.682493 0.0542 BFGS: 13 07:32:25 2.682009 0.0407 Relax final image Step Time Energy fmax BFGS: 0 07:32:25 2.800761 0.8179 BFGS: 1 07:32:25 2.787403 0.7717 BFGS: 2 07:32:25 2.751136 0.6100 BFGS: 3 07:32:25 2.727709 0.4382 BFGS: 4 07:32:25 2.715252 0.2637 BFGS: 5 07:32:25 2.709939 0.2702 BFGS: 6 07:32:25 2.704402 0.2514 BFGS: 7 07:32:25 2.697193 0.1612 BFGS: 8 07:32:25 2.694630 0.1661 BFGS: 9 07:32:25 2.693184 0.1433 BFGS: 10 07:32:25 2.691435 0.0977 Create neb with 2 intermediate steps Optimize neb using a single calculator Step Time Energy fmax BFGS: 0 07:32:25 2.816674 1.1252 BFGS: 1 07:32:26 2.783238 0.8123 BFGS: 2 07:32:26 2.745925 0.1847 BFGS: 3 07:32:26 2.743388 0.1630 BFGS: 4 07:32:26 2.740057 0.1746 BFGS: 5 07:32:26 2.737313 0.1525 BFGS: 6 07:32:26 2.735809 0.1228 BFGS: 7 07:32:26 2.735129 0.0902 !! Copr timeout => sending INT Copr build error: Build failed Last successful build of python-ase was with 5th alpha so it might be cause by some change included in 6th alpha. You can find changelog here: https://docs.python.org/3.10/whatsnew/changelog.html#python-3-10-0-alpha-6 For the build logs, see: https://copr-be.cloud.fedoraproject.org/results/%40python/python3.10/fedora-rawhide-x86_64/02025831-python-ase/ For all our attempts to build python-ase with Python 3.10, see: https://copr.fedorainfracloud.org/coprs/g/python/python3.10/package/python-ase/ Testing and mass rebuild of packages is happening in copr. You can follow these instructions to test locally in mock if your package builds with Python 3.10: https://copr.fedorainfracloud.org/coprs/g/python/python3.10/ Let us know here if you have any questions. Python 3.10 will be included in Fedora 35. To make that update smoother, we're building Fedora packages with early pre-releases of Python 3.10. A build failure prevents us from testing all dependent packages (transitive [Build]Requires), so if this package is required a lot, it's important for us to get it fixed soon. We'd appreciate help from the people who know this package best, but if you don't want to work on this now, let us know so we can try to work around it on our side.
Upstream notified about python 3.10 issues https://gitlab.com/ase/ase/-/issues/909
Currently a new version of python-ase is in succeeded state https://copr.fedorainfracloud.org/coprs/g/python/python3.10/build/2174556/ There was a certain flakiness in the copr runs from https://copr.fedorainfracloud.org/coprs/g/python/python3.10/build/2101540/ failed to https://copr.fedorainfracloud.org/coprs/g/python/python3.10/build/2162346/ succeeded Unfortunately the failed logs are not longer accessible and the name of the test which timeouts is not included in the bug report, but looking at another run it seemed to be this test: neb/test_Ag_Cu100.py::test_Ag_Cu100 Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. BFGSLineSearch: 0[ 0] 07:54:40 4.035042* 1.1099 BFGSLineSearch: 1[ 1] 07:54:40 3.945642* 0.4608 BFGSLineSearch: 2[ 2] 07:54:40 3.932762* 0.1573 BFGSLineSearch: 3[ 3] 07:54:40 3.931335* 0.0135 BFGSLineSearch: 4[ 4] 07:54:40 3.931324* 0.0003 Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. BFGSLineSearch: 0[ 0] 07:54:40 4.035042* 1.1099 BFGSLineSearch: 1[ 1] 07:54:40 3.945642* 0.4608 BFGSLineSearch: 2[ 2] 07:54:40 3.932762* 0.1573 BFGSLineSearch: 3[ 3] 07:54:40 3.931335* 0.0135 BFGSLineSearch: 4[ 4] 07:54:40 3.931324* 0.0003 ...