nomad-FAIR merge requestshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests2023-12-20T15:48:28Zhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1605Resolve "Include Perovskite Solar Cells Database Pugin"2023-12-20T15:48:28ZAhmed IlyasResolve "Include Perovskite Solar Cells Database Pugin"Closes #1825Closes #1825Jose Marquez PrietoJose Marquez Prietohttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1599Resolve "Include Perovskite Solar Cells Database Plugin"2024-02-09T09:16:02ZYaru WangResolve "Include Perovskite Solar Cells Database Plugin"Closes #1825Closes #1825Yaru WangYaru Wanghttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1581Resolve "Make simulation workflow definition as plug-in"2023-12-07T11:48:57ZAlvin Noe LadinesResolve "Make simulation workflow definition as plug-in"Closes #1755Closes #1755Alvin Noe LadinesAlvin Noe Ladineshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1413Merging TB with TightBinding and Projection2023-08-17T12:03:47ZJose PizarroMerging TB with TightBinding and ProjectionThis is to be merged into #1251. @mnakh when you want, check it out and we can merge into your branch.
I did some normalization to directly populate `results.method`.
I also modified the FilterMenus in the GUI to add the menu `TB` und...This is to be merged into #1251. @mnakh when you want, check it out and we can merge into your branch.
I did some normalization to directly populate `results.method`.
I also modified the FilterMenus in the GUI to add the menu `TB` under DFT in the explore page.Jose PizarroJose Pizarrohttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1371More development2023-08-10T12:59:52ZTheodore ChangMore developmentCloses #1180Closes #1180Theodore ChangTheodore Changhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1299Draft: Resolve "Bundle format test and documentation"2023-05-21T23:24:29ZTheodore ChangDraft: Resolve "Bundle format test and documentation"Closes #1498Closes #1498Theodore ChangTheodore Changhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1292Resolve "Store RFC timestamp seed in mongodb"2023-05-23T15:06:49ZTheodore ChangResolve "Store RFC timestamp seed in mongodb"Closes #1497Closes #1497Theodore ChangTheodore Changhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1255Draft: Resolve "Refactor metainfo Packages and references"2024-03-16T20:43:32ZTheodore ChangDraft: Resolve "Refactor metainfo Packages and references"Closes #1205Closes #1205Theodore ChangTheodore Changhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1220Resolve "Move reference and schema related client responsibilities into the API"2023-04-22T20:51:29ZTheodore ChangResolve "Move reference and schema related client responsibilities into the API"Theodore ChangTheodore Changhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1208Frequency and Time meshes2023-04-13T14:49:51ZJose PizarroFrequency and Time meshesAdded FrequencyMesh and TimeMesh inheriting from Mesh to Run.method
Deleted dmft.n_tau and dmft.n_matsubara_freq
Added FrequencyMesh.points in joulesAdded FrequencyMesh and TimeMesh inheriting from Mesh to Run.method
Deleted dmft.n_tau and dmft.n_matsubara_freq
Added FrequencyMesh.points in joulesJose PizarroJose Pizarrohttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1035Resolve "Move reference and schema related client responsibilities into the API"2023-04-01T17:49:57ZTheodore ChangResolve "Move reference and schema related client responsibilities into the API"Porvide alternative implementation of archive query.
Add an alternative implementation that supports more flexible customisation of query configurations.
1. Limit container size
2. Limit reference resolve level
3. Limit result extractio...Porvide alternative implementation of archive query.
Add an alternative implementation that supports more flexible customisation of query configurations.
1. Limit container size
2. Limit reference resolve level
3. Limit result extraction level
4. Independent configurations for different subtrees
5. ... and more
changlog: featureTheodore ChangTheodore Changhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1009Improved documentation and handling of config classes2022-12-22T16:59:57ZDavid SikterImproved documentation and handling of config classesDid some minor improvements to the doc strings.
I also noted that if type annotation isn't added to the `NomadConfig` classes, the attributes might be listed in a strange order in the generated documentation, different from the order in...Did some minor improvements to the doc strings.
I also noted that if type annotation isn't added to the `NomadConfig` classes, the attributes might be listed in a strange order in the generated documentation, different from the order in which the attributes are defined, so I added some type annotations to make sure the logical order is preserved.
I also took myself the liberty to change the behaviour of the `customize` method so that it can take either a `NomadConfig` object or a dictionary as its sole argument (this meant I could simplify the code in some places, and I think it is cleaner. The important thing is that the dict is converted to an instance of the right `NomadConfig` class before we start accessing various settings, and I think this should be the responsibility of the `customize` method. This method also does all the checks in one place.) There was also a bug in the CLI commands relating to this (fixed now).David SikterDavid Sikterhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/965Draft: Resolve "Building docs independently from the python package"2022-12-02T23:21:52ZAdam FeketeDraft: Resolve "Building docs independently from the python package"Closes #1207
The "compiled" documentation should not be part of the python source distribution.
Reasoning:
- we need the nomad package to build the documentation which actually should also contain the documentation... Currently the onl...Closes #1207
The "compiled" documentation should not be part of the python source distribution.
Reasoning:
- we need the nomad package to build the documentation which actually should also contain the documentation... Currently the only way to build the python sdist by building it twice.
- most of the other links on the gui are also pointing to external link
- it is more just a decimation of the usage of the gui...
- the link of the logo of the documentation redirect to a another page (central deployment) and not to the one where it was actually deployed.https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/964Resolve "Switching to src layout"2022-12-02T09:56:18ZAdam FeketeResolve "Switching to src layout"Closes #1206
The main advantage of using src layout is that you can make sure that you are using the proper code during the test...Closes #1206
The main advantage of using src layout is that you can make sure that you are using the proper code during the test...Adam FeketeAdam Feketehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/858Resolve "Simplify the data store's caching strategy"2022-09-29T07:31:41ZDavid SikterResolve "Simplify the data store's caching strategy"Closes #1088. The refactoring gives notable simplifications of the code and saves some api calls. All recorded tests are also refreshed.Closes #1088. The refactoring gives notable simplifications of the code and saves some api calls. All recorded tests are also refreshed.David SikterDavid Sikterhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/826Resolve "Refactor the relationship between FileBrowser, various entry/upload ...2022-09-15T10:04:47ZDavid SikterResolve "Refactor the relationship between FileBrowser, various entry/upload views and their contexts"Final part of the refactor #828. The main idea is that instead of passing around changing context parameters in the browser, we use the data store, which acts like a kind of central cache/context, and we make sure that components keep tr...Final part of the refactor #828. The main idea is that instead of passing around changing context parameters in the browser, we use the data store, which acts like a kind of central cache/context, and we make sure that components keep track of urls indicating "where they are", and use these when they need to resolve any references etc. The resolving logic is also made more explicit, by instead of methods like `resolveRef` and `resolveRefAsync` using methods with a bit more narrow functionality and clearer and well-documented interface. Usually resolving a reference is now a two-stage process, first using `resolveNomadUrl` to calculate a url and then using the store to fetch the data, which forces the code to be very specific/explicit. Also fixes some sporadically failing gui and python tests.David SikterDavid Sikterhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/793Add installationUrl to entry store2022-08-19T12:12:02ZDavid SikterAdd installationUrl to entry storeSimilarly to what was previously done for uploads, add `installationUrl` to the entry store methods. Part of #828.Similarly to what was previously done for uploads, add `installationUrl` to the entry store methods. Part of #828.David SikterDavid Sikterhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/764Use urls for uploads in the store and file browser2022-08-01T09:05:42ZDavid SikterUse urls for uploads in the store and file browserA part of the refactoring for #828. The store is updated to use installationUrl + uploadId, rather than just uploadId to manage uploads, and the file browser adaptors are updated so they take absolute upload urls as the main argument (co...A part of the refactoring for #828. The store is updated to use installationUrl + uploadId, rather than just uploadId to manage uploads, and the file browser adaptors are updated so they take absolute upload urls as the main argument (containing information about installationUrl + uploadId + rawPath), rather than just uploadId + rawPath. Some additional work still needs to be done before we can actually fetch data from external installations, though, so only urls pointing to the local installations work for now.David SikterDavid Sikterhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/762Improved/corrected url parsing utils and documentation2022-08-03T05:58:26ZDavid SikterImproved/corrected url parsing utils and documentationImprovement of documentation and utilities for handling a harmonized "nomad url" concept. Part of the work with #828.Improvement of documentation and utilities for handling a harmonized "nomad url" concept. Part of the work with #828.David SikterDavid Sikterhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/745Additional refactoring for #8282022-07-05T07:15:15ZDavid SikterAdditional refactoring for #828- Adds utilities for parsing and normalizing nomad urls
- renames `UploadContext` and `EntryContext` to the more descriptive `UploadPageContext` and `EntryPageContext`.- Adds utilities for parsing and normalizing nomad urls
- renames `UploadContext` and `EntryContext` to the more descriptive `UploadPageContext` and `EntryPageContext`.Markus ScheidgenMarkus Scheidgen