Skip to content

Pull requests: FAIRmat-NFDI/nomad-parser-plugins-simulation

New pull request New
27 Open 73 Closed
27 Open 73 Closed
Author
Filter by author
Loading
Label
Filter by label
Loading
Use alt + click/return to exclude labels
or ⇧ + click/return for logical OR
Projects
Filter by project
Loading
Milestones
Filter by milestone
Loading
Reviews
Filter by reviews
No reviews Review required Approved review Changes requested
Assignee
Filter by who’s assigned
Assigned to nobody Loading
Sort
Sort by
Newest Oldest Most commented Least commented Recently updated Least recently updated Best match
Most reactions
👍 👎 😄 🎉 😕 ❤️ 🚀 👀

Pull requests list

Add syrupy snapshot verification with manually triggered CI job
#189 opened Jul 3, 2026 by ndaelman-hu Collaborator Loading…
5 tasks done
Re-enable FHI-aims total energy mapping electronic parser enhancement New feature or request
#183 opened Jun 3, 2026 by ndaelman-hu Collaborator Loading…
5 of 7 tasks
@ndaelman-hu
5
ORCA parser & MolecularOrbitals as HDF5Dataset
#182 opened Jun 2, 2026 by EBB2675 Collaborator Loading…
19
Add scf annotation
#181 opened Jun 1, 2026 by ladinesa Collaborator Loading…
6
Add nomad-file-parser dependency and migrate imports
#178 opened May 27, 2026 by ndaelman-hu Collaborator Loading…
4 tasks done
2
Backup/test data normalization fhiaims 2026 05 12
#176 opened May 18, 2026 by JFRudzinski Collaborator • Draft
1
Add initial H5MD schema validator prototype
#175 opened Apr 30, 2026 by EBB2675 Collaborator Loading…
8
Migration of fundamental system and electronic properties for normalization to results electronic parser enhancement New feature or request
#170 opened Apr 8, 2026 by JFRudzinski Collaborator Loading…
@ndaelman-hu
185
Add CLI and GUI integration tests for all parser plugins
#167 opened Mar 31, 2026 by ndaelman-hu Collaborator • Draft
24 of 28 tasks
initial plugin metadata extraction
#159 opened Mar 19, 2026 by JFRudzinski Collaborator • Draft
6
Extend yambo spectra
#158 opened Mar 17, 2026 by Jajar26 Loading…
33
Orca parser
#149 opened Feb 17, 2026 by EBB2675 Collaborator Loading…
3 of 12 tasks
1
Lammps parser model method
#147 opened Feb 12, 2026 by Bernadette-Mohr Collaborator • Draft
4 of 11 tasks
@Bernadette-Mohr
1
Extend yambo
#146 opened Feb 10, 2026 by ladinesa Collaborator Loading…
1
Refactor VASP pseudopotential parsing to use declarative mapping annotations
#144 opened Feb 4, 2026 by ndaelman-hu Collaborator Loading…
4 of 7 tasks
@ndaelman-hu
18
Bump ghcr.io/devcontainers-contrib/features/ruff from 1.1.1 to 2.0.0 dependencies Pull requests that update a dependency file devcontainers_package_manager Pull requests that update devcontainers_package_manager code
#138 opened Jan 19, 2026 by dependabot Bot Loading…
1
Fix global mapping annotation contamination in parsers bug Something isn't working
#137 opened Jan 7, 2026 by ndaelman-hu Collaborator Loading…
3 of 5 tasks
@ndaelman-hu
15
Update nomad-simulations urls after org migration
#136 opened Jan 2, 2026 by JFRudzinski Collaborator Loading…
1
Construct FEATURES.yaml documentation Improvements or additions to documentation enhancement New feature or request
#135 opened Dec 29, 2025 by ndaelman-hu Collaborator • Draft
6 tasks
1
@ndaelman-hu
remove annotations fixes
#133 opened Dec 18, 2025 by JFRudzinski Collaborator Loading…
1
docs: Add parser testing strategy discussion paper
#132 opened Dec 16, 2025 by Bernadette-Mohr Collaborator Loading…
4
Mapping guide doc documentation Improvements or additions to documentation
#131 opened Dec 16, 2025 by EBB2675 Collaborator • Draft
@JFRudzinski
33
Turbomole parser electronic parser
#125 opened Nov 18, 2025 by EBB2675 Collaborator • Draft
@EBB2675
Molcas parser class 3 electronic parser
#124 opened Nov 18, 2025 by EBB2675 Collaborator • Draft
1
@EBB2675
1
PySCF parser class 2 new parser
#123 opened Nov 18, 2025 by EBB2675 Collaborator • Draft
1
@EBB2675
1
ProTip! no:milestone will show everything without a milestone.