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Update tests
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edan-bainglass committed Dec 30, 2024
1 parent e8d78a4 commit 59ed35f
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Showing 2 changed files with 17 additions and 0 deletions.
9 changes: 9 additions & 0 deletions tests/test_result.py
Original file line number Diff line number Diff line change
Expand Up @@ -50,6 +50,15 @@ def test_summary_report(data_regression, generate_qeapp_workchain):
model = WorkChainSummaryModel()
model.process_uuid = workchain.node.uuid
report_parameters = model._generate_report_parameters()
# Discard variable parameters
for key in (
"creation_time",
"creation_time_relative",
"modification_time",
"modification_time_relative",
"uuid",
):
report_parameters.pop(key)
data_regression.check(report_parameters)


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8 changes: 8 additions & 0 deletions tests/test_result/test_summary_report.yml
Original file line number Diff line number Diff line change
@@ -1,17 +1,24 @@
bands_computed: true
bands_kpoints_distance: 0.1
cell_angles: 60 60 60
cell_lengths: 3.847 3.847 3.847
degauss: 0.01
description: ''
electronic_type: metal
energy_cutoff_rho: 240.0
energy_cutoff_wfc: 30.0
formula: Si2
functional: PBEsol
functional_link: https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.100.136406
initial_magnetic_moments: null
label: ''
material_magnetic: none
nscf_kpoints_distance: 0.5
num_atoms: 2
occupation_type: smearing
pdos_computed: true
periodicity: xyz
pk: 79
properties:
- bands
- pdos
Expand All @@ -26,6 +33,7 @@ relax_method: positions_cell
relaxed: positions_cell
scf_kpoints_distance: 0.5
smearing: cold
space_group: Fd-3m (227)
spin_orbit: false
tot_charge: 0.0
tot_magnetization: false
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