mirror of https://github.com/abinit/abipy.git
Fix integration tests
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@ -314,16 +314,19 @@ def itest_bandstructure_schedflow(fwp, tvars):
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# TODO: This does not work yet because GSR files do not contain
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# enough info to understand if we have a path or a mesh.
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#if i == 1:
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# Bandstructure case
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#assert gsr.ebands.has_bzpath
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#with pytest.raises(ValueError):
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# gse.ebands.get_edos()
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if i == 0:
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# DOS case
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assert gsr.ebands.has_bzmesh
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assert not gsr.ebands.has_bzpath
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with pytest.raises(ValueError):
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gsr.ebands.get_edos()
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#if i == 2:
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# # DOS case
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# assert gsr.ebands.has_bzmesh
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# gsr.ebands.get_edos()
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if i == 1:
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# Bandstructure case
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assert gsr.ebands.has_bzpath
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assert not gsr.ebands.has_bzmesh
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with pytest.raises(ValueError):
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gsr.ebands.get_edos()
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def itest_htc_bandstructure(fwp, tvars):
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@ -331,11 +334,6 @@ def itest_htc_bandstructure(fwp, tvars):
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structure = abilab.Structure.from_file(abidata.cif_file("si.cif"))
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pseudos = abidata.pseudos("14si.pspnc")
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# TODO: Add this options because I don't like the kppa approach
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# I had to use it because it was the approach used in VaspIO
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#dos_ngkpt = [4,4,4]
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#dos_shiftk = [0.1, 0.2, 0.3]
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# Initialize the flow.
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flow = abilab.Flow(workdir=fwp.workdir, manager=fwp.manager)
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