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Implement conditional for SKEAF codes
1 parent 96336c0 commit b7e11b2

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Lines changed: 7 additions & 1 deletion

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src/aiidalab_qe_wannier90/resources.py

Lines changed: 7 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -15,6 +15,11 @@ class ResourceSettingsModel(PluginResourceSettingsModel):
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def __init__(self, **kwargs):
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super().__init__(**kwargs)
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def needs_skeaf(parameters: dict) -> bool:
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wannier_params = parameters.get('wannier90', {})
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return wannier_params.get('compute_fermi_surface', False)
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self.add_models(
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{
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'pw': PwCodeModel(
@@ -41,13 +46,14 @@ def __init__(self, **kwargs):
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name='skeaf_v1p3p0_r149',
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description='skeaf_v1p3p0_r149',
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default_calc_job_plugin='skeaf.skeaf',
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condition=needs_skeaf,
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),
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'wan2skeaf': CodeModel(
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name='wan2skeaf.jl',
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description='wan2skeaf.jl',
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default_calc_job_plugin='skeaf.wan2skeaf',
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condition=needs_skeaf,
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),
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}
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)
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