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Ghemical is computational chemistry packageGhemical is a computational chemistry software package written in C++ and released under the GNU GPL. The program has GUI based on GTK+2 and supports quantum mechanical and molecular mechanic models, with geometry optimization, molecular dynamics, and a large set of visualization tools. Ghemical relies on external code to provide the quantum-mechanical calculations - MOPAC provides the semi-empirical MNDO, MINDO, AM1, and PM3 methods, and MPQC methods based on Hartree-Fock calculations.
Version: 3.0.0 License: GPL-2+
GitHub
85 build(s) found
| Builder | Build Number | Start Time | Elapsed Time | Watcher | Build Status |
|---|---|---|---|---|---|
| 15 | 10321 | 2024-10-11 7:22:03 | 0:00:08 | 912 | failed install-dependencies |
| 10.6.x86_64 | 213065 | 2024-08-09 19:05:22 | 0:00:29 | 61844 | failed install-dependencies |
| 10.6 | 177440 | 2024-08-09 19:02:42 | 0:00:26 | 61799 | failed install-dependencies |
| 10.6 | 151709 | 2024-01-27 5:47:32 | 0:00:42 | 54307 | failed install-dependencies |
| 10.6.x86_64 | 187160 | 2024-01-27 4:02:16 | 0:00:31 | 54352 | failed install-dependencies |
| 14.arm64 | 13866 | 2024-01-27 1:31:17 | 0:01:37 | 4766 | build successful |
| 14 | 24589 | 2024-01-07 16:48:42 | 0:07:42 | 4084 | build successful |
| 10.6.x86_64 | 169044 | 2023-08-29 11:24:13 | 0:00:33 | 48669 | failed install-dependencies |
| 10.6 | 133707 | 2023-08-29 11:23:08 | 0:00:43 | 48629 | failed install-dependencies |
| 12 | 76630 | 2023-07-22 0:05:42 | 0:06:07 | 23828 | build successful |
| 11.arm64 | 98041 | 2023-07-21 20:51:58 | 0:02:44 | 35023 | build successful |
| 12.arm64 | 100637 | 2023-07-21 16:41:03 | 0:01:36 | 23838 | build successful |
| 11 | 121390 | 2023-07-21 15:37:44 | 0:07:51 | 35028 | build successful |
| 10.8 | 141433 | 2023-07-21 13:24:07 | 0:04:26 | 44847 | build successful |
| 13.arm64 | 28802 | 2023-07-21 13:11:41 | 0:02:10 | 9428 | build successful |
| 13 | 41322 | 2023-07-21 9:44:58 | 0:07:25 | 9581 | build successful |
| 10.6 | 127216 | 2023-07-21 8:52:35 | 0:00:47 | 47011 | failed install-dependencies |
| 10.6.x86_64 | 162470 | 2023-07-21 8:14:57 | 0:00:35 | 47048 | failed install-dependencies |
| 13.arm64 | 28791 | 2023-07-21 5:35:48 | 0:00:08 | 9423 | failed install-dependencies |
| 13.arm64 | 13668 | 2023-03-10 15:29:55 | 0:00:07 | 4393 | failed install-dependencies |
| 13.arm64 | 12855 | 2023-03-09 20:28:48 | 0:00:07 | 4312 | failed install-dependencies |
| 11.arm64 | 82600 | 2023-01-18 17:48:30 | 0:00:08 | 28047 | failed install-dependencies |
| 12 | 56819 | 2023-01-18 16:00:03 | 0:00:25 | 16851 | failed install-dependencies |
| 12.arm64 | 83504 | 2023-01-18 12:02:23 | 0:00:07 | 16864 | failed install-dependencies |
| 13 | 16898 | 2023-01-18 12:00:31 | 0:00:20 | 2379 | failed install-dependencies |
| 11 | 100493 | 2023-01-18 11:21:56 | 0:00:36 | 28070 | failed install-dependencies |
| 10.6.x86_64 | 140914 | 2023-01-18 11:10:52 | 0:00:34 | 40094 | failed install-dependencies |
| 10.6 | 106255 | 2023-01-18 11:00:08 | 0:00:47 | 40064 | failed install-dependencies |
| 10.8 | 120109 | 2023-01-18 10:49:10 | 0:05:43 | 37879 | failed install-port |
| 11.arm64 | 58731 | 2022-06-19 19:02:58 | 0:00:09 | 20128 | failed install-dependencies |
| 12.arm64 | 56039 | 2022-06-19 5:54:25 | 0:00:07 | 8949 | failed install-dependencies |
| 11 | 76271 | 2022-06-19 5:16:38 | 0:00:52 | 20182 | failed install-dependencies |
| 12 | 33730 | 2022-06-19 5:16:29 | 0:00:27 | 8954 | failed install-dependencies |
| 10.6 | 79201 | 2022-06-19 5:15:10 | 0:00:40 | 32143 | failed install-dependencies |
| 10.6.x86_64 | 112507 | 2022-06-19 5:14:19 | 0:00:30 | 32114 | failed install-dependencies |
| 11.arm64 | 56199 | 2022-06-04 15:21:38 | 0:00:09 | 19583 | failed install-dependencies |
| 10.6 | 75106 | 2022-06-04 10:54:04 | 0:00:39 | 31596 | failed install-dependencies |
| 12 | 31763 | 2022-06-04 9:51:08 | 0:00:39 | 8417 | failed install-dependencies |
| 12.arm64 | 53504 | 2022-06-04 8:59:36 | 0:00:06 | 8409 | failed install-dependencies |
| 11 | 74509 | 2022-06-04 8:48:05 | 0:00:42 | 19640 | failed install-dependencies |
| 10.6.x86_64 | 108884 | 2022-06-04 7:53:05 | 0:00:48 | 31565 | failed install-dependencies |
| 10.8 | 91956 | 2022-06-04 7:50:52 | 0:06:10 | 29446 | failed install-port |
| 11.arm64 | 50167 | 2022-04-05 0:21:04 | 0:00:09 | 17565 | failed install-dependencies |
| 10.15 | 95856 | 2022-04-04 17:10:01 | 0:02:34 | 27738 | build successful |
| 10.11 | 177846 | 2022-04-04 17:09:57 | 0:02:27 | 57071 | build successful |
| 11 | 68529 | 2022-04-04 17:03:44 | 0:00:36 | 17623 | failed install-dependencies |
| 10.14 | 123239 | 2022-04-04 16:54:08 | 0:02:42 | 38739 | build successful |
| 10.9 | 183972 | 2022-04-04 16:54:04 | 0:01:58 | 56652 | build successful |
| 10.13 | 146773 | 2022-04-04 16:45:12 | 0:01:56 | 47966 | build successful |
| 12 | 25848 | 2022-04-04 16:44:35 | 0:00:34 | 6406 | failed install-dependencies |
| 10.12 | 182533 | 2022-04-04 16:40:34 | 0:01:53 | 55881 | build successful |
| 10.10 | 179069 | 2022-04-04 16:37:07 | 0:02:20 | 56961 | build successful |
| 10.6.x86_64 | 98530 | 2022-04-04 15:38:52 | 0:01:11 | 29523 | failed install-dependencies |
| 10.6 | 64265 | 2022-04-04 15:27:39 | 0:01:09 | 29561 | failed install-dependencies |
| 10.8 | 85067 | 2022-04-04 15:23:06 | 0:01:59 | 27431 | failed install-port |
| 12.arm64 | 46744 | 2022-04-04 15:16:03 | 0:00:06 | 6390 | failed install-dependencies |
| 10.7 | 94220 | 2022-04-04 15:13:13 | 0:01:41 | 29378 | build successful |
| 11.arm64 | 44907 | 2022-01-24 10:51:05 | 0:00:09 | 15178 | failed install-dependencies |
| 12 | 19240 | 2022-01-24 3:57:34 | 0:00:29 | 3952 | failed install-dependencies |
| 10.11 | 171242 | 2022-01-24 3:21:29 | 0:01:27 | 54695 | build successful |
| 10.6 | 56546 | 2022-01-24 2:17:51 | 0:01:10 | 27180 | failed install-dependencies |
| 10.6.x86_64 | 90746 | 2022-01-24 2:17:05 | 0:01:04 | 27141 | failed install-dependencies |
| 10.14 | 116629 | 2022-01-24 2:09:46 | 0:01:52 | 36358 | build successful |
| 10.8 | 78256 | 2022-01-24 2:06:55 | 0:01:59 | 25055 | failed install-port |
| 12.arm64 | 40771 | 2022-01-24 2:02:11 | 0:00:06 | 4002 | failed install-dependencies |
| 11 | 62255 | 2022-01-24 1:59:03 | 0:00:43 | 15238 | failed install-dependencies |
| 10.13 | 140116 | 2022-01-24 1:54:11 | 0:01:01 | 45590 | build successful |
| 10.7 | 86756 | 2022-01-24 1:52:05 | 0:02:47 | 26998 | build successful |
| 10.15 | 89159 | 2022-01-24 1:50:18 | 0:01:24 | 25359 | build successful |
| 10.10 | 172513 | 2022-01-24 1:49:37 | 0:01:09 | 54584 | build successful |
| 10.9 | 177280 | 2022-01-24 1:39:24 | 0:00:56 | 54274 | build successful |
| 10.12 | 175893 | 2022-01-24 1:33:48 | 0:01:00 | 53506 | build successful |
| 12.arm64 | 18959 | 2021-11-18 1:59:22 | 0:00:35 | 1249 | failed install-dependencies |
| 11 | 49078 | 2021-10-17 20:07:04 | 0:03:28 | 10870 | failed install-dependencies |
| 10.6 | 41340 | 2021-10-17 20:02:17 | 0:03:04 | 22880 | failed install-dependencies |
| 10.6.x86_64 | 75689 | 2021-10-17 11:54:31 | 0:03:35 | 22852 | failed install-dependencies |
| 10.8 | 63393 | 2021-10-17 10:44:36 | 0:09:23 | 20746 | failed install-port |
| 10.8 | 63335 | 2021-10-17 4:57:13 | 0:11:23 | 20745 | failed install-port |
| 10.6 | 41259 | 2021-10-17 4:11:51 | 0:03:16 | 22879 | failed install-dependencies |
| 11 | 48969 | 2021-10-17 2:58:44 | 0:03:27 | 10869 | failed install-dependencies |
| 10.6.x86_64 | 75613 | 2021-10-17 0:26:50 | 0:02:47 | 22851 | failed install-dependencies |
| 11.arm64 | 31058 | 2021-10-16 22:27:42 | 0:00:33 | 11060 | failed install-dependencies |
| 10.7 | 71128 | 2021-10-16 21:39:21 | 0:08:25 | 22886 | build successful |
| 11.arm64 | 14774 | 2021-03-19 0:48:44 | 0:00:45 | 3879 | failed install-dependencies |
| 10.15 | 17315 | 2019-12-28 18:23:54 | 0:09:25 | 1768 | build successful |