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publish_to_pypi.yml
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debug fix patch publish to pypi #178: Commit 3d5db05 pushed by bernstei
February 13, 2025 19:35 19s remote_op_with_configset_input
remote_op_with_configset_input
February 13, 2025 19:35 19s
debug publish to pypi #177: Commit 9902387 pushed by bernstei
February 13, 2025 18:53 22s remote_op_with_configset_input
remote_op_with_configset_input
February 13, 2025 18:53 22s
debug publish to pypi #176: Commit 5a6865e pushed by bernstei
February 13, 2025 18:48 24s remote_op_with_configset_input
remote_op_with_configset_input
February 13, 2025 18:48 24s
fix slurm.conf in github CI publish to pypi #175: Commit bdbd700 pushed by bernstei
February 13, 2025 15:23 23s remote_op_with_configset_input
remote_op_with_configset_input
February 13, 2025 15:23 23s
fix slurm.conf in github CI publish to pypi #174: Commit ac915d0 pushed by bernstei
February 13, 2025 15:07 21s remote_op_with_configset_input
remote_op_with_configset_input
February 13, 2025 15:07 21s
debug publish to pypi #173: Commit 0b2377a pushed by bernstei
February 13, 2025 14:43 23s remote_op_with_configset_input
remote_op_with_configset_input
February 13, 2025 14:43 23s
debug publish to pypi #172: Commit ac67267 pushed by bernstei
February 13, 2025 14:29 23s remote_op_with_configset_input
remote_op_with_configset_input
February 13, 2025 14:29 23s
debug github CI slurm config publish to pypi #171: Commit f038a0e pushed by bernstei
February 13, 2025 14:28 25s remote_op_with_configset_input
remote_op_with_configset_input
February 13, 2025 14:28 25s
Fix _very_ subtle bug in remote jobs with an op that takes a ConfigSet publish to pypi #170: Commit d9c2324 pushed by bernstei
February 12, 2025 21:43 24s remote_op_with_configset_input
remote_op_with_configset_input
February 12, 2025 21:43 24s
bump version to value 0.3.3, just for docs fix publish to pypi #169: Commit b1cdb70 pushed by bernstei
January 23, 2025 22:38 41s v0.3.3
v0.3.3
January 23, 2025 22:38 41s
bump version to value 0.3.3, just for docs fix publish to pypi #168: Commit b1cdb70 pushed by bernstei
January 23, 2025 22:38 17s main
main
January 23, 2025 22:38 17s
bump version to publish new docs with map docstring fix publish to pypi #167: Commit 4db6120 pushed by bernstei
January 23, 2025 22:26 15s main
main
January 23, 2025 22:26 15s
Try to fix docs.yml github workflow publish to pypi #166: Commit 103cc43 pushed by bernstei
January 23, 2025 22:24 37s v0.3.2_1
v0.3.2_1
January 23, 2025 22:24 37s
Try to fix docs.yml github workflow publish to pypi #165: Commit 103cc43 pushed by bernstei
January 23, 2025 22:20 21s main
main
January 23, 2025 22:20 21s
fix wfl.map.map docstring publish to pypi #164: Commit 9c5f7be pushed by bernstei
January 23, 2025 22:17 19s main
main
January 23, 2025 22:17 19s
Merge pull request #348 from libAtoms/err_calc_stress_virial_voigt publish to pypi #163: Commit c1f3bad pushed by bernstei
December 4, 2024 22:00 19s main
main
December 4, 2024 22:00 19s
Try to fix mkl-service / numpy / pytorch threading issue publish to pypi #162: Commit 19f30be pushed by bernstei
December 4, 2024 20:15 18s err_calc_stress_virial_voigt
err_calc_stress_virial_voigt
December 4, 2024 20:15 18s
force numpy < 2 in conda install xtb, to avoid breaking compatibility publish to pypi #161: Commit 73ac18a pushed by bernstei
December 4, 2024 19:11 24s err_calc_stress_virial_voigt
err_calc_stress_virial_voigt
December 4, 2024 19:11 24s
track numpy version in github CI pytests workflow publish to pypi #160: Commit a420119 pushed by bernstei
December 4, 2024 14:12 22s err_calc_stress_virial_voigt
err_calc_stress_virial_voigt
December 4, 2024 14:12 22s
Increase github CI pytest python version to 3.10, to work with MACE publish to pypi #159: Commit 9e3ae93 pushed by bernstei
December 3, 2024 22:17 23s err_calc_stress_virial_voigt
err_calc_stress_virial_voigt
December 3, 2024 22:17 23s
Switch pytests to mopac from github, since openmopac.net drops older … publish to pypi #158: Commit c1b6f67 pushed by bernstei
December 3, 2024 17:57 20s err_calc_stress_virial_voigt
err_calc_stress_virial_voigt
December 3, 2024 17:57 20s
Make sure copying data in error calc doesn't break when data is missing publish to pypi #157: Commit 10898b2 pushed by bernstei
December 3, 2024 16:21 21s err_calc_stress_virial_voigt
err_calc_stress_virial_voigt
December 3, 2024 16:21 21s
reshape stress/virial to voigt-6 in error calc publish to pypi #156: Commit ae6718c pushed by bernstei
December 3, 2024 15:39 29s err_calc_stress_virial_voigt
err_calc_stress_virial_voigt
December 3, 2024 15:39 29s
Fix default MD logger header prefix publish to pypi #155: Commit 5b08766 pushed by bernstei
November 1, 2024 17:17 23s main
main
November 1, 2024 17:17 23s
more verbose error messages from md publish to pypi #154: Commit e534acb pushed by bernstei
October 31, 2024 16:33 25s main
main
October 31, 2024 16:33 25s