26826512126
86%

Ran 02 Jun 2026 02:30PM UTC

Jobs 3

Files 131

Run time 1min

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Committed 02 Jun 2026 02:29PM UTC coverage: 85.64% (+0.1%) from 85.513%

Build # 26826512126

Build Type

push

github

Committed by

web-flow

Commit Message

canonicalize `AtomCenteredBasisSet` (#385)

* minimal initial implementation

* add registry for BSElibrary, add cli

* rm unused file

* rm DASHES from registry

* add bse and pylibxc as dev-electronic dependency

* rm build.py

* rm aliases

* fix error msg handling

* rm pylibxx

* cleanup

* add lightweight test for BSE JSON integrity

Coverage Stats

122 of 126 new or added lines in 4 files covered. (96.83%)

9590 of 11198 relevant lines covered (85.64%)

2.57 hits per line

Uncovered Changes

Lines	Coverage	∆	File
2	89.88	-0.27%	src/nomad_simulations/schema_packages/basis_set.py
2	96.0		src/nomad_simulations/schema_packages/utils/basis_set_exchange/registry.py

Jobs

ID	Job ID	Ran	Files	Coverage
1	26826512126.1	02 Jun 2026 02:30PM UTC	131	85.64	GitHub Action Run
2	26826512126.2	02 Jun 2026 02:30PM UTC	131	85.64	GitHub Action Run
3	26826512126.3	02 Jun 2026 02:31PM UTC	131	85.64	GitHub Action Run

FAIRmat-NFDI / nomad-simulations / 26826512126
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FAIRmat-NFDI / nomad-simulations / 26826512126 86%

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FAIRmat-NFDI / nomad-simulations / 26826512126
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