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test_and_publish.yml
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more flexibility in Molecule to OpenFF conversion Test code and publish package #827: Commit 2246a9f pushed by stefdoerr
January 30, 2025 15:54 19m 22s main
main
January 30, 2025 15:54 19m 22s
remove smallmol tools which were not used Test code and publish package #826: Commit a15ad09 pushed by stefdoerr
January 29, 2025 14:19 21m 56s 1.9.28
1.9.28
January 29, 2025 14:19 21m 56s
remove smallmol tools which were not used Test code and publish package #825: Commit a15ad09 pushed by stefdoerr
January 29, 2025 08:54 9m 4s main
main
January 29, 2025 08:54 9m 4s
assign stereochemistry in SmallMol from Molecule conformer. Default s… Test code and publish package #824: Commit 6f9dc83 pushed by stefdoerr
January 28, 2025 17:10 17m 35s main
main
January 28, 2025 17:10 17m 35s
restore CI Test code and publish package #823: Commit df9b190 pushed by stefdoerr
January 2, 2025 14:25 29m 24s 1.9.27
1.9.27
January 2, 2025 14:25 29m 24s
restore CI Test code and publish package #822: Commit df9b190 pushed by stefdoerr
January 2, 2025 14:25 34s main
main
January 2, 2025 14:25 34s
cleanup wrapping code to reduce warnings Test code and publish package #821: Commit e611bc0 pushed by stefdoerr
January 2, 2025 14:11 10m 28s main
main
January 2, 2025 14:11 10m 28s
use pip Test code and publish package #820: Commit 3a4709a pushed by stefdoerr
January 2, 2025 14:11 7m 58s main
main
January 2, 2025 14:11 7m 58s
move compilers to build Test code and publish package #819: Commit 55e8d7a pushed by stefdoerr
January 2, 2025 13:56 7m 49s main
main
January 2, 2025 13:56 7m 49s
build to host Test code and publish package #818: Commit 176a438 pushed by stefdoerr
January 2, 2025 13:53 5m 6s main
main
January 2, 2025 13:53 5m 6s
ensuring the correct pip is used Test code and publish package #817: Commit fe65abc pushed by stefdoerr
December 19, 2024 11:49 5m 9s main
main
December 19, 2024 11:49 5m 9s
ensuring the correct pip is used Test code and publish package #816: Commit 32864fb pushed by stefdoerr
December 19, 2024 11:40 4m 22s main
main
December 19, 2024 11:40 4m 22s
try manually setting PATH for cl.exe Test code and publish package #815: Commit 10c511b pushed by stefdoerr
December 19, 2024 10:58 4m 48s main
main
December 19, 2024 10:58 4m 48s
ditto Test code and publish package #814: Commit 093aa10 pushed by stefdoerr
December 19, 2024 10:50 3m 10s main
main
December 19, 2024 10:50 3m 10s
try older compiler Test code and publish package #813: Commit 163fe09 pushed by stefdoerr
December 19, 2024 10:38 5m 22s main
main
December 19, 2024 10:38 5m 22s
try again with msvc Test code and publish package #812: Commit a2ba752 pushed by stefdoerr
December 19, 2024 09:10 4m 45s main
main
December 19, 2024 09:10 4m 45s
try using the build instead of the host section Test code and publish package #811: Commit 1bb7918 pushed by stefdoerr
December 19, 2024 09:07 3m 56s main
main
December 19, 2024 09:07 3m 56s
windows 2022 Test code and publish package #810: Commit 85b183a pushed by stefdoerr
December 19, 2024 08:42 4m 32s main
main
December 19, 2024 08:42 4m 32s
test windows build Test code and publish package #809: Commit 709b3df pushed by stefdoerr
December 19, 2024 08:34 5m 17s main
main
December 19, 2024 08:34 5m 17s
Test code and publish package Test code and publish package #808: by stefdoerr
December 18, 2024 16:35 12m 20s 1.9.26
1.9.26
December 18, 2024 16:35 12m 20s
try again Test code and publish package #807: Commit 7844bb6 pushed by stefdoerr
December 18, 2024 16:21 9m 33s 1.9.26
1.9.26
December 18, 2024 16:21 9m 33s
try again Test code and publish package #806: Commit 7844bb6 pushed by stefdoerr
December 18, 2024 16:21 4s main
main
December 18, 2024 16:21 4s
install toml pyyaml Test code and publish package #805: Commit c36a114 pushed by stefdoerr
December 18, 2024 16:10 10m 44s 1.9.25
1.9.25
December 18, 2024 16:10 10m 44s
install toml pyyaml Test code and publish package #804: Commit c36a114 pushed by stefdoerr
December 18, 2024 16:10 26s main
main
December 18, 2024 16:10 26s
reenable all python variants Test code and publish package #803: Commit 5177001 pushed by stefdoerr
December 18, 2024 15:37 13m 59s 1.9.24
1.9.24
December 18, 2024 15:37 13m 59s