nomad-FAIR merge requestshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests2023-03-24T09:14:51Zhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1187Simplified the README.md2023-03-24T09:14:51ZMarkus ScheidgenSimplified the README.mdhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1010Initial commit of the JOSS paper.2023-03-24T07:41:17ZMarkus ScheidgenInitial commit of the JOSS paper.At some point we decided it would be a good idea to put NOMAD at JOSS. This is the initial draft of a JOSS paper.
Keep in mind that JOSS "papers" are supposed to be very short (250-1000 words) and are more an abstract for software than...At some point we decided it would be a good idea to put NOMAD at JOSS. This is the initial draft of a JOSS paper.
Keep in mind that JOSS "papers" are supposed to be very short (250-1000 words) and are more an abstract for software than a regular research paper. You can learn more about the requirements and review here: https://joss.readthedocs.io/en/latest/submitting.htmlhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1183Resolve "User define quantities are not registered properly"2023-04-01T18:31:09ZTheodore ChangResolve "User define quantities are not registered properly"Closes #1403Closes #1403Theodore ChangTheodore Changhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1186Added example script that prints out metainfo metrics.2023-03-23T11:22:01ZMarkus ScheidgenAdded example script that prints out metainfo metrics.Changelog: AddedChangelog: Addedhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1182Fixed a copy and paste mistake in the docs.2023-04-25T08:21:03ZMarkus ScheidgenFixed a copy and paste mistake in the docs.https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1176Added helper functions for creating topologies2023-03-23T06:28:14ZLauri HimanenAdded helper functions for creating topologiesAdded helper functions for creating topologies, simplified calculation topology creation accordingly.
Closes #1401Added helper functions for creating topologies, simplified calculation topology creation accordingly.
Closes #1401Lauri HimanenLauri Himanenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1181Changed prod develop deploy to only execute after tests.2023-03-22T15:51:54ZMarkus ScheidgenChanged prod develop deploy to only execute after tests.https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1180Changed github push PR action.2023-03-22T14:35:36ZMarkus ScheidgenChanged github push PR action.https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1179GitHub PR: Point the README.md to the develop documentation, not staging.2023-03-22T14:22:51ZMarkus ScheidgenGitHub PR: Point the README.md to the develop documentation, not staging.Original pull request on GitHub: https://github.com/nomad-coe/nomad/pull/54Original pull request on GitHub: https://github.com/nomad-coe/nomad/pull/54https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1177Added missing hdf5 documentation file.2023-04-25T08:21:03ZMarkus ScheidgenAdded missing hdf5 documentation file.https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1174GitHub PR: Updated GitHub action to create unique branch names on gitlab2023-03-22T08:31:59ZMarkus ScheidgenGitHub PR: Updated GitHub action to create unique branch names on gitlabOriginal pull request on GitHub: https://github.com/nomad-coe/nomad/pull/50Original pull request on GitHub: https://github.com/nomad-coe/nomad/pull/50https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1145Update some vulnerable and obsolete packages2023-03-22T03:24:29ZTheodore ChangUpdate some vulnerable and obsolete packageshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1146Resolve "No float128 or complex256 on Windows"2023-03-22T03:24:00ZTheodore ChangResolve "No float128 or complex256 on Windows"Closes #1387Closes #1387Theodore ChangTheodore Changhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1171Added definitions and Figures of Merit section2023-03-21T17:46:13ZJose Marquez PrietoAdded definitions and Figures of Merit sectionI have included some definitions and drafted a figure of merit section. Ideally, we would have an algorithm that extracts these parameters automatically from the time-dependent metrics. This is not as trivial as it might look in the begi...I have included some definitions and drafted a figure of merit section. Ideally, we would have an algorithm that extracts these parameters automatically from the time-dependent metrics. This is not as trivial as it might look in the beginning and would be great to discuss it. It would also bring a way to report stability figures of merit in a common standardized manner across the labs we support.
@g-michaelgoette feel free to copy, merge or take whatever you consider from here. If you do not merge, please close the MR and delete the branch afterward.https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1170Update parser submodule2023-03-21T13:41:33ZAlvin Noe LadinesUpdate parser submoduleUpdate workflow parser submoduleUpdate workflow parser submoduleAlvin Noe LadinesAlvin Noe Ladineshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1167GitHub PR: Added github actions to push PRs to gitlab.2023-03-21T11:58:58ZMarkus ScheidgenGitHub PR: Added github actions to push PRs to gitlab.Original pull request on GitHub: https://api.github.com/repos/nomad-coe/nomad/pulls/46Original pull request on GitHub: https://api.github.com/repos/nomad-coe/nomad/pulls/46https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1169Rename bad parser test file2023-03-21T12:47:10ZAlvin Noe LadinesRename bad parser test fileRename aflow test file with :Rename aflow test file with :Alvin Noe LadinesAlvin Noe Ladineshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1164Fixed issue in reading nomad config file, improved testing of config reading,...2023-03-21T10:35:26ZLauri HimanenFixed issue in reading nomad config file, improved testing of config reading,...Fixed issue in reading nomad config file, improved testing of config reading, fixed issue in log assertion.
Closes #1400Fixed issue in reading nomad config file, improved testing of config reading, fixed issue in log assertion.
Closes #1400Lauri HimanenLauri Himanenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1148Resolve "Rework tabular parser-entry mode"2023-03-20T12:58:02ZAmir GolparvarResolve "Rework tabular parser-entry mode"Closes #1388Closes #1388Amir GolparvarAmir Golparvarhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1142Resolve "MaterialCard for entries without structure"2023-03-20T08:14:08ZJose Marquez PrietoResolve "MaterialCard for entries without structure"Closes #1376Closes #1376Jose Marquez PrietoJose Marquez Prieto