Package: aiida-export-migration-tests
Testing of AiiDA export file migrationsTest modules for migration ofAiiDAexport files.Can be installed by addingtestingpackage, when installing AiiDA:pipinstallaiida-core[testing]Note: This only works for AiiDAv1.0.0and newer.Historical table of version comparisons between releases of this module and AiiDA, including when tests for the different export versions are first included.This moduleAiiDAExport versions (when first included)0.9.0to be released0.90.8.01.0.10.80.7.01.0.0b40.6, 0.70.6.01.0.0b40.5.21.0.0b30.5.11.0.0b30.5.01.0.0b30.4 -> 0.50.1.11.0.0b20.1.01.0.0b20.1 -> 0.2 ; 0.2 -> 0.3 ; 0.3 -> 0.4Q&AQ: Why not include these test archives in the core of AiiDA?A:In order to not take up unneccesary disk space, when installing AiiDA, these test archives have been separated out ofaiida-core.
Furthermore, the legacy export versions will never change, i.e., the incremental migration functions need only be thoroughly tested once, and will therefore not be affected by changes to the core of the AiiDA code in any way.Q: What happens when the export version is upped?A:A new export archive file will be added to this repo as well as a new test-filled file (toaiida-coreundertests.tools.importexport.migration.).Q: What if the import system changes in AiiDA core?A:This repo is only for storing the export archives and their creation workflows for different export versions.
All tests can be found inaiida-core.Release notes0.9.0 (April 2020)AiiDA version:To be releasedUpdate repository with export archive for export version 0.9.
The file follows the naming of previous export version files having the suffix_manual, since it was not produced properly, i.e., through a new workflow run in AiiDA.
Instead, the export fileexport_v0.8_manual.aiidahas been the unpacked, updated manually, and repacked.
This means the latest "proper" export file isexport_v0.4.aiida.Changes are expected to be released with AiiDA version 1.2.0.New file:export_v0.9_manual.aiida0.8.0 (November 2019)AiiDA version:1.0.0Update repository with export archive for export version 0.8.
The file follows the naming of previous export version files having the suffix_manual, since it was not produced properly, i.e., through a new workflow run in AiiDA.
Instead, the export fileexport_v0.7_manual.aiidahas been the unpacked, updated manually, and repacked.
This means the latest "proper" export file isexport_v0.4.aiida.Changes are expected to be released with AiiDA version 1.0.1.New file:export_v0.8_manual.aiida0.7.0 (July 2019)AiiDA version:1.0.0b4Update repository with export archive for export versions 0.6 and 0.7.These files are named differently, having the suffix_manual, since they were not produced properly, i.e., through a new workflow run in AiiDA.
Instead, the export fileexport_v0.4.aiidahas been the unpacked, updated manually, and repacked.The fileexport_v0.5.aiidahas also been made this way, and will therefore have its name changed accordingly.New files:export_v0.5_manual.aiida(only the filename has been altered)export_v0.6_manual.aiidaexport_v0.7_manual.aiida0.6.0 (July 2019)AiiDA version:1.0.0b4This version was never released.0.5.2 (June 2019)AiiDA version:1.0.0b3Remove test files according to issue#6.
The files have been moved toaiida-coreunderaiida.backends.tests.tools.importexport.migration..
As explained in the issue, the problem of having tests that concern files inaiida-core, is that they cannot be skipped with a helpful message usingunittest.skip(<message>).This repository has now become the keeper of the export archives and the workflows that created them.
Hence, it should only ever be touched, when a new export version is introduced in AiiDA, and a new archive must be added.0.5.1 (June 2019)AiiDA version:1.0.0b3Update imports from aiida-core in accordance with the restructuring of the import/export-module.
For a reference, this was done in aiida-core PR#3052.0.5.0 (June 2019)AiiDA version:1.0.0b3Update version number of this repository to reflect the currentEXPORT_VERSIONinaiida-core.The version number is now as follows:<EXPORT_VERSION>.<patch>Implement initial change related to the update ofEXPORT_VERSIONfrom 0.4 to 0.5:Migration0034: Remove fields/columns"nodeversion"and"public"from theDbNodemodel.Migration0036: Remove field/column"transport_params"from theDbComputermodel.Note: The newly createdexport_v0.5.aiidaunder/aiida-export-migration-tests/archivesisnotactually created from an AiiDA workflow, but instead a migration ofexport_v0.4.aiida.
This is because the changes between the versions are insignificant for the outcome of the workflow, and that only very minor changes have occurred.0.1.1 (May 2019)AiiDA version:1.0.0b2Minor fixes due to changes inaiida-core.Folderfixtureschanges name toarchivesto match the same change happening for aiida-core.The simple AiiDA export archives in aiida-core representing the different export versions have changed names:export_v0.1_no_UPF.aiida->export_v0.1_simple.aiidaexport_v0.2_no_UPF.aiida->export_v0.2_simple.aiidaexport_v0.3_no_UPF.aiida->export_v0.3_simple.aiidaexport_v0.4_no_UPF.aiida->export_v0.4_simple.aiidaA change in the conversion message included inmetadata.jsonfiles, when a migration has been successfully performed, introduces the version of AiiDA into the message. In order to have the tests be version-agnostic, theconversion_infokey has to be handled specially in the relevant tests.When migrating an archive, it is asserted that the correct conversion message appears in the migrated archive, and theconversion_infoitem is then popped from both the migrated archive and the archive imported for comparison.0.1.0 (April 2019)AiiDA version:1.0.0b2First release.Tests for step-wise export migrations from versions 0.1, 0.2, and 0.3.Representative export files created in specializedQuantum Mobilevirtual machines by @yakutovicha to test currently known migrations from the basis of what could be exported at the time of the different export versions.Table of version comparisons (similar to the one inaiida-corePR#2478).Export versionAiiDA versionAiiDA version release dateFound changed in commitv0.1*0.6.0.101.03.2016as exported by 0.6.0v0.20.9.101.09.2017189e29fea4c7f4213d0be0914d55cccaa581c364(v0.7.0)v0.30.12.304.03.2019788d3206e0eaaf062d1a13710aaa64a18a0bbbcd(v0.10.0rc1)v0.41.0.0b209.04.20191673ec28e8b594693a0ee4cdec82669e72abcc4c(v1.0.0b1)*Due to the following reasons, we decidednotto invest an effort in making the representative archive migration for 0.1:The earliest version released on PyPi is 0.8.0rc1 (22.03.2017).The previous stable version (AiiDA 0.5.0) was not working in a virtual environment.The migration from v0.1 to v0.2 is small and quite simple.
If an export file should be found that cannot be properly migrated, due to this step, it can be migrated manually with little effort.Representative export files creationTo create the representative export files, a simple workflow was developed by @yakutovicha that runs two consequtiveQuantumESPRESSOPW calculations.
First an SCF calculation, followed by an MD calculation.The workflows can be found in the repository's folder.qm, and correspond to the following export versions andQuantum Mobileeditions:Export versionWorkflowRun workflow scriptQuantum Mobilev0.1*---v0.2wf.pyrun_wf.pyhistorical_aiida_0.9.1v0.3wf.pyrun_wf.pyv19.03.0v0.4wf_aiida_1_0.pyrun_wf_aiida_1_0.pyin development*See sectionRelease notes#0.1.0 (April 2019).They contain the following AiiDA node types (according to AiiDA1.0.0):Node typeParent-type tree, up toNodeFloatNumericType -> BaseType/Data -> NodeIntNumericType -> BaseType/Data -> NodeDictData -> NodeFolderDataData -> NodeRemoteDataData -> NodeStructureDataData -> NodeUpfDataSinglefileData -> Data -> NodeKpointsDataArrayData -> Data -> NodeBandsDataKpointsData -> ArrayData -> Data -> NodeTrajectoryDataArrayData -> Data -> NodeCodeData -> NodeWorkChainNodeWorkflowNode -> ProcessNode -> NodeCalcJobNodeCalculationNode -> ProcessNode -> Node