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fix maestro file reader Whole #79: Commit 3981277 pushed by stefdoerr
July 17, 2025 14:23 18m 57s main
main
July 17, 2025 14:23 18m 57s
fix OPM test to be more flexible. Install blast on all OSs except win… Whole #78: Commit bb54160 pushed by stefdoerr
June 24, 2025 07:03 46m 3s v1.10.3
v1.10.3
June 24, 2025 07:03 46m 3s
fix OPM test to be more flexible. Install blast on all OSs except win… Whole #77: Commit bb54160 pushed by stefdoerr
June 24, 2025 06:48 18m 3s main
main
June 24, 2025 06:48 18m 3s
install blast to test OPM on GH Actions Whole #76: Commit 2d1b7ff pushed by stefdoerr
June 24, 2025 06:40 7m 46s main
main
June 24, 2025 06:40 7m 46s
updated paths to test files Whole #75: Commit 124d4a8 pushed by stefdoerr
June 19, 2025 11:27 14m 29s v1.10.2
v1.10.2
June 19, 2025 11:27 14m 29s
updated paths to test files Whole #74: Commit 124d4a8 pushed by stefdoerr
June 19, 2025 10:07 18m 10s main
main
June 19, 2025 10:07 18m 10s
fixes for non-canonical AA preparation Whole #73: Commit 8c32ad5 pushed by stefdoerr
June 19, 2025 09:52 16m 56s main
main
June 19, 2025 09:52 16m 56s
restore CI Whole #72: Commit f4890c5 pushed by stefdoerr
June 18, 2025 10:18 59m 53s v1.10.1
v1.10.1
June 18, 2025 10:18 59m 53s
restore CI Whole #71: Commit f4890c5 pushed by stefdoerr
June 18, 2025 10:18 2m 43s main
main
June 18, 2025 10:18 2m 43s
special conda variants for windows Whole #70: Commit e62ca83 pushed by stefdoerr
June 18, 2025 09:50 5m 12s main
main
June 18, 2025 09:50 5m 12s
more attempts on windows Whole #69: Commit 3976195 pushed by stefdoerr
June 18, 2025 09:43 5m 23s main
main
June 18, 2025 09:43 5m 23s
change path of windows compiler for conda Whole #68: Commit 2b5e936 pushed by stefdoerr
June 18, 2025 09:29 20m 48s main
main
June 18, 2025 09:29 20m 48s
Whole Whole #67: by stefdoerr
June 18, 2025 07:51 48m 49s v1.10.0
v1.10.0
June 18, 2025 07:51 48m 49s
remove LYS hydrogens on the failing test to make it more stable Whole #66: Commit bd0ac86 pushed by stefdoerr
June 18, 2025 07:51 50s main
main
June 18, 2025 07:51 50s
Whole Whole #65: by stefdoerr
June 18, 2025 07:51 1m 10s v1.10.0
v1.10.0
June 18, 2025 07:51 1m 10s
still debugging issues with test on Ubuntu ARM64 Whole #64: Commit ae9afef pushed by stefdoerr
June 18, 2025 07:39 12m 35s main
main
June 18, 2025 07:39 12m 35s
Whole Whole #63: by stefdoerr
June 18, 2025 07:39 12m 17s v1.10.0
v1.10.0
June 18, 2025 07:39 12m 17s
pick different chains which don't cause issues on Windows/Mac Whole #62: Commit abd4fbc pushed by stefdoerr
June 18, 2025 07:20 15m 44s v1.10.0
v1.10.0
June 18, 2025 07:20 15m 44s
pick different chains which don't cause issues on Windows/Mac Whole #61: Commit abd4fbc pushed by stefdoerr
June 18, 2025 07:09 15m 16s main
main
June 18, 2025 07:09 15m 16s
simplify systemPrepare test failing on LYS residue hydrogen coordinates Whole #60: Commit 3ef792f pushed by stefdoerr
June 18, 2025 06:46 16m 15s main
main
June 18, 2025 06:46 16m 15s
debugging preparation test issue on Windows/Mac Whole #59: Commit 3d37bbb pushed by stefdoerr
June 18, 2025 06:31 16m 0s main
main
June 18, 2025 06:31 16m 0s
OSX tests produce slightly different coordinates Whole #58: Commit 22997be pushed by stefdoerr
June 17, 2025 14:41 24m 46s main
main
June 17, 2025 14:41 24m 46s
numpy 2.3.0 doesn't like adding int64 to uint32 arrays Whole #57: Commit e0a8f67 pushed by stefdoerr
June 17, 2025 14:27 14m 37s main
main
June 17, 2025 14:27 14m 37s
remove aceprep from systemprepare and use Molecule.templateResidueFro… Whole #56: Commit 0fc603d pushed by stefdoerr
June 17, 2025 13:58 23m 53s v1.9.38
v1.9.38
June 17, 2025 13:58 23m 53s
remove aceprep from systemprepare and use Molecule.templateResidueFro… Whole #55: Commit 0fc603d pushed by stefdoerr
June 17, 2025 13:57 23m 2s main
main
June 17, 2025 13:57 23m 2s