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latest commit with flexibleConstraints for AMBER systems and CHARMM r…
Test code and publish package #33: Commit 0b2421a pushed by stefdoerr
March 10, 2025 10:40 52m 3s main
March 10, 2025 10:40 52m 3s
osx are creating .conda extensions
Test code and publish package #32: Commit 3a66a61 pushed by stefdoerr
January 24, 2025 09:00 46m 20s main
January 24, 2025 09:00 46m 20s
latest openmm commit
Test code and publish package #31: Commit d67691d pushed by stefdoerr
January 24, 2025 08:24 43m 40s main
January 24, 2025 08:24 43m 40s
enable cuda 12 windows builds
Test code and publish package #30: Commit 54242b2 pushed by stefdoerr
November 29, 2024 09:59 35m 31s main
November 29, 2024 09:59 35m 31s
enable all windows cuda 11.8 builds
Test code and publish package #29: Commit 14aa610 pushed by stefdoerr
November 29, 2024 09:55 3m 42s main
November 29, 2024 09:55 3m 42s
newer windows runner
Test code and publish package #28: Commit 2d55e23 pushed by stefdoerr
November 29, 2024 09:20 32m 33s main
November 29, 2024 09:20 32m 33s
add msbuild
Test code and publish package #27: Commit d4bb201 pushed by stefdoerr
November 29, 2024 09:16 4m 32s main
November 29, 2024 09:16 4m 32s
custom cuda installation script
Test code and publish package #26: Commit 456aa6d pushed by stefdoerr
November 29, 2024 08:57 5m 44s main
November 29, 2024 08:57 5m 44s
try network installation
Test code and publish package #25: Commit c451ce4 pushed by stefdoerr
November 29, 2024 08:24 13m 44s main
November 29, 2024 08:24 13m 44s
fix version
Test code and publish package #24: Commit a6cf920 pushed by stefdoerr
November 29, 2024 07:57 59m 59s main
November 29, 2024 07:57 59m 59s
install cuda
Test code and publish package #23: Commit 90455d7 pushed by stefdoerr
November 29, 2024 07:53 2m 30s main
November 29, 2024 07:53 2m 30s
don't install git when testing. the system already has it
Test code and publish package #22: Commit 314a88d pushed by stefdoerr
November 28, 2024 14:39 37m 20s main
November 28, 2024 14:39 37m 20s
try again windows cuda11
Test code and publish package #21: Commit 32f7e8a pushed by stefdoerr
November 28, 2024 13:47 41m 45s main
November 28, 2024 13:47 41m 45s
windows builds
Test code and publish package #20: Commit 13b74af pushed by stefdoerr
November 28, 2024 12:52 48m 14s main
November 28, 2024 12:52 48m 14s
fix for osx
Test code and publish package #19: Commit d0d96e4 pushed by stefdoerr
November 28, 2024 12:47 6m 8s main
November 28, 2024 12:47 6m 8s
try again osx builds
Test code and publish package #18: Commit 1265878 pushed by stefdoerr
November 28, 2024 12:44 3m 26s main
November 28, 2024 12:44 3m 26s
try building osx
Test code and publish package #17: Commit 90c989e pushed by stefdoerr
November 28, 2024 12:17 15m 54s main
November 28, 2024 12:17 15m 54s
don't trust llms
Test code and publish package #16: Commit f0f7537 pushed by stefdoerr
November 28, 2024 11:54 16m 4s main
November 28, 2024 11:54 16m 4s
try multiple linux configs building
Test code and publish package #15: Commit bfa3e0c pushed by stefdoerr
November 28, 2024 11:50 3m 18s main
November 28, 2024 11:50 3m 18s
really... this will drive me insane
Test code and publish package #14: Commit fc932a5 pushed by stefdoerr
November 15, 2024 15:09 15m 44s main
November 15, 2024 15:09 15m 44s
try again
Test code and publish package #13: Commit 40e158d pushed by stefdoerr
November 15, 2024 14:52 15m 58s main
November 15, 2024 14:52 15m 58s
try again
Test code and publish package #12: Commit e0935d0 pushed by stefdoerr
November 15, 2024 14:44 2m 30s main
November 15, 2024 14:44 2m 30s
try again
Test code and publish package #11: Commit 6cdd8ca pushed by stefdoerr
November 15, 2024 14:28 15m 27s main
November 15, 2024 14:28 15m 27s
try with existing conda in the container
Test code and publish package #10: Commit bc8aab6 pushed by stefdoerr
November 15, 2024 13:56 16m 23s main
November 15, 2024 13:56 16m 23s
use setup-python instead of setup-miniconda
Test code and publish package #9: Commit 596b392 pushed by stefdoerr
November 15, 2024 13:39 2m 40s main
November 15, 2024 13:39 2m 40s