| 811f5b6 | Fernando on behalf of tutorial authors | 07 July 2016, 13:31:01 UTC | Added magic function '%aiida' in ipython that achieves the same configuration as verdi shell | 07 July 2016, 13:31:01 UTC |
| 1be91a7 | Martin Uhrin | 25 June 2016, 14:33:01 UTC | Merge branch 'hotfix_verdi_node_show' into beta_tutorial_june_2016 | 25 June 2016, 14:33:01 UTC |
| afc9d31 | Martin Uhrin | 25 June 2016, 14:32:49 UTC | Merge branch 'post_tutorial_additions' into beta_tutorial_june_2016 | 25 June 2016, 14:32:49 UTC |
| 80048ca | Martin Uhrin | 24 June 2016, 08:40:22 UTC | * Removed logging level INFO for backups. This should not be hard-coded into the source but rather set by the user from, say, a command line flag * Fixed bug in tests that was caused by workflows2 command loading the dbenv at the top of the module | 24 June 2016, 08:40:22 UTC |
| 535e674 | Martin Uhrin | 23 June 2016, 16:25:19 UTC | Added raising to power in AiiDA numerical types. | 23 June 2016, 16:25:19 UTC |
| d6ba901 | Martin Uhrin | 22 June 2016, 12:15:59 UTC | fixes #228 Not assuming that node has code anymore (or computer for future removing of this). | 22 June 2016, 12:15:59 UTC |
| ba8fb20 | Fernando Gargiulo | 22 June 2016, 10:15:59 UTC | Added a TODO comment | 22 June 2016, 10:15:59 UTC |
| dc631f5 | Martin Uhrin | 22 June 2016, 09:26:01 UTC | Changed node.store() to not raise an exception if it is stored. This is in keeping with the "Tell, don't ask" paradigm. Put simply the user shouldn't care if the store was carried out then or it had already been stored, the point is after a successful return from the function the node is stored. | 22 June 2016, 09:26:01 UTC |
| 98999bf | Martin Uhrin | 21 June 2016, 18:45:19 UTC | Changed groups to use tabulate. Fixed bug in verdi node tree. | 21 June 2016, 18:45:19 UTC |
| c5ad6d7 | Martin Uhrin | 21 June 2016, 16:47:04 UTC | Merge branch 'tutorial_hotfix' into beta_tutorial_june_2016 | 21 June 2016, 16:47:04 UTC |
| fde741a | Martin Uhrin | 21 June 2016, 16:46:50 UTC | Removing spurious files. | 21 June 2016, 16:46:50 UTC |
| d79bf2e | Martin Uhrin | 21 June 2016, 16:28:37 UTC | * In SealableMixin changed seal() behaviour to not throw exception if already sealed. This respects the Tell, don't ask paradigm. * Removed old parent property methods from process. | 21 June 2016, 16:28:37 UTC |
| c5b7dd7 | Fernando on behalf of tutorial authors | 21 June 2016, 16:19:49 UTC | Small fix | 21 June 2016, 16:19:49 UTC |
| 0148e61 | Martin Uhrin | 21 June 2016, 14:31:27 UTC | * Added check in Code verdi command to not load dbenv if already loaded * Fixed bug in verdi node tree that caused it to display incorrectly * Fixed bug on Process class that would call parent on_restart when it should be on_start | 21 June 2016, 14:31:27 UTC |
| e40a2f2 | Fernando on behalf of tutorial authors | 21 June 2016, 13:30:35 UTC | Fixed load_dbenv issue in verdilib.py | 21 June 2016, 13:30:35 UTC |
| e1e15b0 | Martin Uhrin | 21 June 2016, 11:48:20 UTC | Merge branch 'tutorial_hotfixes' into beta_tutorial_june_2016 | 21 June 2016, 11:48:20 UTC |
| 5a99c7c | Martin Uhrin | 21 June 2016, 11:48:10 UTC | Fixed problem with asyncd cause by a variety of factors including pickle persistence and process states. | 21 June 2016, 11:48:10 UTC |
| bcc83cd | Martin Uhrin | 21 June 2016, 09:56:04 UTC | Changed verdi node and calculation to use the same function to print information about a node. But 'verdi node show' now doesn't have a depth and 'verdi node tree' should be used instead. | 21 June 2016, 09:56:04 UTC |
| 92b3c8f | Martin Uhrin | 20 June 2016, 19:18:57 UTC | Merge branch 'beta_tutorial_june_2016' of bitbucket.org:aiida_team/aiida_core into beta_tutorial_june_2016 | 20 June 2016, 19:18:57 UTC |
| 1c2bb2a | Martin Uhrin | 20 June 2016, 19:18:37 UTC | * Made workflow2 accept -h for help as well as --help * Changed workflow2 tree to only get unique call links * Added link_type parameter to Node.get_outputs and get_outputs_dict * Made pickles keep the file behind even after a process finishes successfully | 20 June 2016, 19:18:37 UTC |
| 1c9abec | Fernando on behalf of tutorial authors | 20 June 2016, 18:28:38 UTC | Fixed required parameters of one example | 20 June 2016, 18:28:38 UTC |
| a9c9e52 | Martin Uhrin | 20 June 2016, 17:33:14 UTC | More work on verdi workflows2 command. | 20 June 2016, 17:33:14 UTC |
| d1406f3 | Martin Uhrin | 20 June 2016, 14:05:47 UTC | Merge branch 'verdi_workflows2' into beta_tutorial_june_2016 | 20 June 2016, 14:05:47 UTC |
| ab5fefa | Martin Uhrin | 20 June 2016, 14:04:06 UTC | Putting in some verdi command changes, mainly cosmetic. | 20 June 2016, 14:04:06 UTC |
| e19b53c | Martin Uhrin | 20 June 2016, 14:02:18 UTC | Adding try around getting source code lines because it could fail in some cases. | 20 June 2016, 14:02:18 UTC |
| a599f94 | Martin Uhrin | 20 June 2016, 13:43:38 UTC | Added verdi workflow2 list command that lists the running workflows. Still needs a lot of work. | 20 June 2016, 13:43:38 UTC |
| 80938d1 | Giovanni Pizzi | 20 June 2016, 13:21:07 UTC | Wrong variable name | 20 June 2016, 13:21:07 UTC |
| 8c0b4c1 | Giovanni Pizzi | 20 June 2016, 13:18:33 UTC | Fixed an import error | 20 June 2016, 13:18:33 UTC |
| 7b71dbc | Giovanni Pizzi | 20 June 2016, 13:16:23 UTC | Added comments to the pressure convergence wf | 20 June 2016, 13:16:23 UTC |
| b294318 | Giovanni Pizzi | 20 June 2016, 13:06:59 UTC | New version of the pressure convergence example | 20 June 2016, 13:06:59 UTC |
| 68706ea | Martin Uhrin | 20 June 2016, 12:07:59 UTC | Upped to version 0.4.2 of plum to fix context problem in fragmented workflow. | 20 June 2016, 12:07:59 UTC |
| 445f4e3 | Martin Uhrin | 20 June 2016, 08:17:37 UTC | Merge branch 'beta_tutorial_june_2016' of bitbucket.org:aiida_team/aiida_core into beta_tutorial_june_2016 | 20 June 2016, 08:17:37 UTC |
| 8da7e2f | Martin Uhrin | 20 June 2016, 08:16:19 UTC | Merge branch 'beta_tutorial_june_2016' into verdi_workflows2 Changed updatable attributes to be separated out in a mixin and added appropriate tests. Upped required plum version to 0.4.1 | 20 June 2016, 08:16:19 UTC |
| e9a65da | Martin Uhrin | 19 June 2016, 10:05:59 UTC | Putting in some of the code for sealing calculation nodes. | 19 June 2016, 10:05:59 UTC |
| 4a6fd45 | Martin Uhrin | 19 June 2016, 09:46:05 UTC | Work on adding sealing to calculation nodes and retaining modifiable attributes. | 19 June 2016, 09:46:05 UTC |
| 7c5932a | Fernando on behalf of tutorial authors | 17 June 2016, 15:56:52 UTC | Missing some updates type-> node_type in the get_inputs method of node | 17 June 2016, 15:56:52 UTC |
| 46d0f72 | Andrea Cepellotti | 17 June 2016, 15:36:19 UTC | Merge remote-tracking branch 'remotes/origin/tutorial_june_2016' into beta_tutorial_june_2016 Conflicts: aiida/orm/calculation/job/quantumespresso/pw.py | 17 June 2016, 15:36:19 UTC |
| 6d15f6f | Martin Uhrin | 17 June 2016, 12:47:22 UTC | In node.get_inputs changed type to node_type as it was confusing. For JobProcess if the calculation fails it prints the pk with the error message now. | 17 June 2016, 12:47:22 UTC |
| 90c387e | Martin Uhrin | 17 June 2016, 12:01:28 UTC | Started work on adding is_sealed propery to nodes. | 17 June 2016, 12:01:28 UTC |
| b47937d | Martin Uhrin | 16 June 2016, 21:17:58 UTC | Added a way to get the pk and node from a wf using: aiida.workflows2.defaults.registry.current_pid and current_calc_node Created corresponding test. | 16 June 2016, 21:17:58 UTC |
| 0ba42a9 | Martin Uhrin | 16 June 2016, 18:52:22 UTC | Merge branch 'beta_tutorial_june_2016' of bitbucket.org:aiida_team/aiida_core into beta_tutorial_june_2016 | 16 June 2016, 18:52:22 UTC |
| 3c69c16 | Martin Uhrin | 16 June 2016, 18:48:17 UTC | Fixed a couple of problems with the workflows | 16 June 2016, 18:48:17 UTC |
| a393fc3 | Martin Uhrin | 16 June 2016, 18:08:51 UTC | Put in a hotfix for the links problem, this *should* work for new and old stuff in the database. | 16 June 2016, 18:08:51 UTC |
| e23cb33 | Martin Uhrin | 16 June 2016, 17:47:38 UTC | Fixed simple data to be just functions for the specific: float, int, etc. | 16 June 2016, 17:47:38 UTC |
| a9f8e69 | Fernando on behalf of tutorial authors | 16 June 2016, 15:15:50 UTC | In verdi node show added --print-node option to print also the list of groups containing the inspected nodes | 16 June 2016, 15:15:50 UTC |
| 5f67b93 | Fernando on behalf of tutorial authors | 16 June 2016, 13:38:36 UTC | Merge branch 'beta_tutorial_june_2016' of https://bitbucket.org/aiida_team/aiida_core into beta_tutorial_june_2016 | 16 June 2016, 13:38:36 UTC |
| 96d82ba | Fernando on behalf of tutorial authors | 16 June 2016, 13:38:23 UTC | Fixed verdi node show behaviour. | 16 June 2016, 13:38:23 UTC |
| f7700dc | Martin Uhrin | 16 June 2016, 13:37:22 UTC | Added some arithmetic operators for AiiDA numeric types. Removed __init__ s from examples. | 16 June 2016, 13:37:22 UTC |
| 576f305 | Martin Uhrin | 16 June 2016, 12:45:15 UTC | Upped required plum version. | 16 June 2016, 12:45:15 UTC |
| 39c17e6 | Martin Uhrin | 16 June 2016, 12:42:48 UTC | * Fixed ProcessScope to be used internally by the Process rather than setting the parent externally. Still one outstanding issue to solve but it works with Serial workflow engine for now. * Removed link_type from general/node.py because it was causing problems. This needs to be fixed in the future but for the time benig it works. * [fragmented_wf] fixed bug when saving the context instance state * [fragmented_wf] Bug: workflow on_stop wasn't calling super * [fragmented_wf] Fixed bug when checking outline steps that aren't Process methods (but _Steps instead) * JobProcess fixed parent calc links * Process fixed parent calc links * Fixed daemon test * Added test in Process | 16 June 2016, 12:42:48 UTC |
| f2f5b74 | Martin Uhrin | 16 June 2016, 06:52:14 UTC | Merge branch 'beta_tutorial_june_2016' of bitbucket.org:aiida_team/aiida_core into beta_tutorial_june_2016 | 16 June 2016, 06:52:14 UTC |
| 0070e1f | Martin Uhrin | 16 June 2016, 06:51:14 UTC | Fixed some bugs in the diamond_fcc workflow Added pressure_convergence workflow Equation of states workflow should now work. | 16 June 2016, 06:51:14 UTC |
| 94b6306 | Fernando on behalf of tutorial authors | 15 June 2016, 17:06:48 UTC | Modified verdilib.py to include Graph class. Minor changes in graph.py | 15 June 2016, 17:06:48 UTC |
| eb2064b | Fernando on behalf of tutorial authors | 15 June 2016, 17:02:28 UTC | Added command verdi graph generate <pk> to generate a graph starting from a root node identified by <pk> | 15 June 2016, 17:02:28 UTC |
| 461d0c4 | Martin Uhrin | 15 June 2016, 12:10:50 UTC | Merge branch 'beta_tutorial_june_2016' of bitbucket.org:aiida_team/aiida_core into beta_tutorial_june_2016 | 15 June 2016, 12:10:50 UTC |
| 491f923 | Martin Uhrin | 15 June 2016, 12:10:34 UTC | * Fixed node get_inputs to have a link_type attribute which default to INPUT links (which is the old behaviour) e.g. CALL links are not returned. * Fixed a couple of tests for extendeddicts * Changed workfunctions to return just the node (instead of a dict with label: node) iff there is only one node returned * Added some basic database loading to process_registry to get outputs from the node if it deson't have them * Added diamond cubic workfunction example | 15 June 2016, 12:10:34 UTC |
| 7b6eb36 | Fernando on behalf of tutorial authors | 14 June 2016, 17:05:55 UTC | Added --n/--node <pk> to verdi group list. This only print groups to those containing node <pk> | 14 June 2016, 17:05:55 UTC |
| 3efe0f5 | Martin Uhrin | 14 June 2016, 16:23:00 UTC | Fixed problem introduced by timezone changes in calculations. | 14 June 2016, 16:23:00 UTC |
| 2eeb319 | Martin Uhrin | 14 June 2016, 16:10:45 UTC | Upped plum version requirements. | 14 June 2016, 16:10:45 UTC |
| a142cfb | Martin Uhrin | 14 June 2016, 16:07:15 UTC | Fixed problem with JobProcess that meant it wouldn't submit jobs. Fixed the results to context wait_on. | 14 June 2016, 16:07:15 UTC |
| c68da3b | Martin Uhrin | 14 June 2016, 12:25:27 UTC | Fixed some problems with legacy calculations: trying to add links twice and the finish callback function had the wrong signature. Upped to version 0.3.0 of plum. | 14 June 2016, 12:25:27 UTC |
| a7f22a4 | Martin Uhrin | 14 June 2016, 09:59:34 UTC | Got rid of djcelery tasks which have been replaced by new backend agnostic system anyway. | 14 June 2016, 09:59:34 UTC |
| dbea525 | Martin Uhrin | 14 June 2016, 09:55:22 UTC | Merge branch 'beta_tutorial_june_2016' of bitbucket.org:aiida_team/aiida_core into beta_tutorial_june_2016 | 14 June 2016, 09:55:22 UTC |
| 9a47562 | Martin Uhrin | 14 June 2016, 09:55:17 UTC | Fixed problem with damon and pw_si example. | 14 June 2016, 09:55:17 UTC |
| 9622511 | Fernando on behalf of tutorial authors | 14 June 2016, 09:42:10 UTC | Fixed django dependencies in verdi daemon | 14 June 2016, 09:42:10 UTC |
| 1ceb876 | Martin Uhrin | 14 June 2016, 08:20:04 UTC | Fixed bug in calculation listing causing by mixing timezone aware and unaware time subtraction. | 14 June 2016, 08:20:04 UTC |
| f5182db | Leonid Kahle | 14 June 2016, 07:16:22 UTC | Merge branch 'beta_tutorial_june_2016' of bitbucket.org:aiida_team/aiida_core into beta_tutorial_june_2016 | 14 June 2016, 07:16:22 UTC |
| f81e35b | Leonid Kahle | 14 June 2016, 07:13:28 UTC | [Working on #178] Enforcing default behavior for projections, that is if no single projection is specified, the last vertice is projected (ORM instance). Replaced __repr__ with __str__ so that the number of queries being built is reduced when working with the shell. | 14 June 2016, 07:13:28 UTC |
| 778477f | Martin Uhrin | 14 June 2016, 06:56:26 UTC | Fixed problem with setup.py that would cause install fail. Fixed DefaultsDict to work properly. Added a couple of tests. | 14 June 2016, 06:56:26 UTC |
| 4291014 | Leonid Kahle | 14 June 2016, 06:30:42 UTC | Merge branch 'sqlalchemy_merge' into beta_tutorial_june_2016 | 14 June 2016, 06:30:42 UTC |
| 06ac20a | Leonid Kahle | 14 June 2016, 06:28:34 UTC | Merge branch 'sqlalchemy_merge' of bitbucket.org:aiida_team/aiida_core into sqlalchemy_merge | 14 June 2016, 06:28:34 UTC |
| eadc62a | Martin Uhrin | 13 June 2016, 18:54:38 UTC | Fixed a bunch of blocking things for remote submission, including: * Proper pickle persistence of Processes * Changed the extended dictionaries used for Process templates * Updated the Process factory to be able to properly create JobProcesses (i.e. legacy Calculation object). | 13 June 2016, 18:54:38 UTC |
| 0381ba0 | Martin Uhrin | 13 June 2016, 17:13:35 UTC | Merge branch '2016_06_new_workflows_tutorial' into beta_tutorial_june_2016 | 13 June 2016, 17:13:35 UTC |
| 53c764f | Martin Uhrin | 13 June 2016, 17:10:33 UTC | Fixed a bunch of things with workflows. Updated to new version of plum. Added equation of states stub example. Added some extended dictionaries with attributes and tests. | 13 June 2016, 17:10:33 UTC |
| 7e4f671 | Fernando Gargiulo | 13 June 2016, 15:51:42 UTC | Verdi user list bug resulved | 13 June 2016, 15:51:42 UTC |
| 9ff15e6 | Spyros Zoupanos | 13 June 2016, 10:29:30 UTC | [Issue #192] verdi user list works again. Broken because a function was moved and the references were not updated. | 13 June 2016, 10:29:30 UTC |
| cae7175 | Spyros Zoupanos | 12 June 2016, 00:35:49 UTC | [Issue #192] 'verdi -p my_profile install' works. 'verdi install' with profile modifications of existing profile works. Both tested under Django. To be tested a bit more. | 12 June 2016, 00:35:49 UTC |
| 246d0a6 | Martin Uhrin | 11 June 2016, 21:32:38 UTC | Bunch of improvements. Fixes and updated to latest version of plum. | 11 June 2016, 21:32:38 UTC |
| bdfb3a1 | Martin Uhrin | 10 June 2016, 13:26:36 UTC | Merge branch 'beta_tutorial_june_2016' into 2016_06_new_workflows_tutorial | 10 June 2016, 13:26:36 UTC |
| 2702594 | Martin Uhrin | 10 June 2016, 12:57:58 UTC | Updated to the latest version of plum. | 10 June 2016, 12:57:58 UTC |
| 2a07cb5 | Martin Uhrin | 09 June 2016, 07:47:09 UTC | Updated workflows to be compatible with plum v0.2.0 | 09 June 2016, 07:47:09 UTC |
| b0f7063 | Leonid Kahle | 07 June 2016, 10:31:21 UTC | Merge branch 'sqlalchemy_merge' into beta_tutorial_june_2016 | 07 June 2016, 10:31:21 UTC |
| 89092ea | Leonid Kahle | 07 June 2016, 10:19:45 UTC | Merge branch 'sqlalchemy_merge' of bitbucket.org:aiida_team/aiida_core into sqlalchemy_merge | 07 June 2016, 10:19:45 UTC |
| cae6a60 | Spyros Zoupanos | 07 June 2016, 09:43:10 UTC | [Issue #192] Disabling very early backend check. Has to re-implemented more properly. | 07 June 2016, 09:43:10 UTC |
| f702f0b | Fernando Gargiulo | 07 June 2016, 08:52:07 UTC | Merged epfl_theos/aiida_epfl/tutorial_june_2016 into tutorial_june_2016 | 07 June 2016, 08:52:07 UTC |
| 798358f | Nicolas Mounet | 07 June 2016, 08:50:35 UTC | Merged in pw_input_helper (pull request #16) Implementing the validator and input helper for Quantum ESPRESSO pw.x. | 07 June 2016, 08:50:35 UTC |
| afdccb5 | Martin Uhrin | 07 June 2016, 06:56:04 UTC | Fixed and added a bunch of workflow tests. | 07 June 2016, 06:56:04 UTC |
| 661d45c | Leonid Kahle | 07 June 2016, 06:17:22 UTC | Merge branch 'sqlalchemy_merge' into beta_tutorial_june_2016 | 07 June 2016, 06:17:22 UTC |
| c1f119f | Leonid Kahle | 07 June 2016, 06:16:16 UTC | Merge branch 'sqlalchemy_merge' of bitbucket.org:aiida_team/aiida_core into sqlalchemy_merge | 07 June 2016, 06:16:16 UTC |
| e528b81 | Leonid Kahle | 07 June 2016, 06:15:58 UTC | [related to #192] Achieving same behavior in _list_calculations with QueryBuilder for IMPORTED calculations (e.g printing IMPORTED/FINISHED) | 07 June 2016, 06:15:58 UTC |
| bb88450 | Martin Uhrin | 06 June 2016, 19:28:44 UTC | Merge branch 'develop' into new_workflows | 06 June 2016, 19:28:44 UTC |
| deba000 | Martin Uhrin | 06 June 2016, 19:28:16 UTC | More work on simplifying workflows. | 06 June 2016, 19:28:16 UTC |
| 8f75d4a | Leonid Kahle | 06 June 2016, 18:23:07 UTC | Merge remote-tracking branch 'aiida_epfl/sqlalchemy_merge' into beta_tutorial_june_2016 | 06 June 2016, 18:23:07 UTC |
| d1b2eab | Fernando Gargiulo | 06 June 2016, 12:41:16 UTC | Merged epfl_theos/aiida_epfl/tutorial_june_2016 into tutorial_june_2016 | 06 June 2016, 12:41:16 UTC |
| 7656761 | Martin Uhrin | 06 June 2016, 06:37:49 UTC | Put in more useful error message if BACKEND has not been set. | 06 June 2016, 06:37:49 UTC |
| e8f06c1 | Giovanni Pizzi | 05 June 2016, 21:23:14 UTC | Improved the documentation for the pw (and cp) input plugins (for all the flags in the Settings node). | 05 June 2016, 21:23:14 UTC |
| a49309f | Giovanni Pizzi | 05 June 2016, 20:54:22 UTC | Fixed a wrong behavior in the QE pw/cp plugins when checking for the parser options and checking if there were further unknown flags in the Settings node. However, this does not solve yet completely the problem (see issue #219). | 05 June 2016, 20:54:22 UTC |
| c77c886 | Martin Uhrin | 05 June 2016, 18:58:10 UTC | Moved JobProcess calculations to the new attributes system where attributes is a input node. Also added schema validation for the attributes dictionary. | 05 June 2016, 18:58:10 UTC |
| ca51ca0 | Martin Uhrin | 05 June 2016, 10:34:24 UTC | Merge branch 'new_workflows' into proc_attributes | 05 June 2016, 10:34:24 UTC |
| b14ea7c | Martin Uhrin | 05 June 2016, 10:33:28 UTC | Fixed mistake in job process spec. | 05 June 2016, 10:33:28 UTC |
