From a7098ca5240d62d2e8bb7b92ffb54f7f9ebb4c5f Mon Sep 17 00:00:00 2001 From: beuken Date: Tue, 6 Feb 2024 10:01:17 +0100 Subject: [PATCH 1/2] skip some tests in integration_tests --- abipy/integration_tests/itest_ebands.py | 4 ++-- abipy/integration_tests/itest_frohlich_zpr.py | 2 +- abipy/integration_tests/itest_gw.py | 2 +- abipy/integration_tests/itest_relaxations.py | 2 +- 4 files changed, 5 insertions(+), 5 deletions(-) diff --git a/abipy/integration_tests/itest_ebands.py b/abipy/integration_tests/itest_ebands.py index b1ade24b1..8c66ac9b1 100644 --- a/abipy/integration_tests/itest_ebands.py +++ b/abipy/integration_tests/itest_ebands.py @@ -154,7 +154,7 @@ def itest_unconverged_scf(fwp, tvars): #dt = t0.datetimes #assert (dt.submission, dt.start, dt.end) == (None, None, None) - +@pytest.mark.skip(reason="there is currently no way to test this on the testfarm (builder scope_gnu_12.2_abipy )") def itest_bandstructure_flow(fwp, tvars): """ Testing band-structure flow with one dependency: SCF -> NSCF. @@ -401,7 +401,7 @@ def itest_htc_bandstructure(fwp, tvars): assert not gsr.ebands.has_bzpath gsr.ebands.get_edos() - +@pytest.mark.skip(reason="there is currently no way to test this on the testfarm (builder scope_gnu_12.2_abipy )") def itest_metagga_ebands_flow(fwp, tvars): """ Test band structure calculation with meta-GGA diff --git a/abipy/integration_tests/itest_frohlich_zpr.py b/abipy/integration_tests/itest_frohlich_zpr.py index a2c70e043..e58529ca9 100644 --- a/abipy/integration_tests/itest_frohlich_zpr.py +++ b/abipy/integration_tests/itest_frohlich_zpr.py @@ -44,7 +44,7 @@ def make_scf_input(usepaw=0): return scf_input - +@pytest.mark.skip(reason="there is currently no way to test this on the testfarm (builder scope_gnu_12.2_abipy )") def itest_frohlich_zpr_flow(fwp, tvars): """ """ diff --git a/abipy/integration_tests/itest_gw.py b/abipy/integration_tests/itest_gw.py index b55c31291..89bfa0fc0 100644 --- a/abipy/integration_tests/itest_gw.py +++ b/abipy/integration_tests/itest_gw.py @@ -93,7 +93,7 @@ def make_g0w0_inputs(ngkpt, tvars): return multi.split_datasets() - +@pytest.mark.skip(reason="there is currently no way to test this on the testfarm (builder scope_gnu_12.2_abipy )") def itest_g0w0_flow(fwp, tvars): """Test flow for G0W0 calculations.""" scf, nscf, scr, sig = make_g0w0_inputs(ngkpt=[2, 2, 2], tvars=tvars) diff --git a/abipy/integration_tests/itest_relaxations.py b/abipy/integration_tests/itest_relaxations.py index b7a75be70..6f56bd256 100644 --- a/abipy/integration_tests/itest_relaxations.py +++ b/abipy/integration_tests/itest_relaxations.py @@ -44,7 +44,7 @@ def ion_relaxation(tvars, ntime=50): return inp - +@pytest.mark.skip(reason="there is currently no way to test this on the testfarm (builder scope_gnu_12.2_abipy )") def itest_atomic_relaxation(fwp, tvars): """Test atomic relaxation with automatic restart.""" # Build the flow From bd653a6acdaf086ebe53dfe769f7339144e2f9a4 Mon Sep 17 00:00:00 2001 From: beuken Date: Tue, 6 Feb 2024 14:36:48 +0100 Subject: [PATCH 2/2] add import pytest in some files in integration_tests --- abipy/integration_tests/itest_ebands.py | 1 + abipy/integration_tests/itest_frohlich_zpr.py | 1 + abipy/integration_tests/itest_gw.py | 1 + abipy/integration_tests/itest_relaxations.py | 1 + 4 files changed, 4 insertions(+) diff --git a/abipy/integration_tests/itest_ebands.py b/abipy/integration_tests/itest_ebands.py index 8c66ac9b1..3c63ceb30 100644 --- a/abipy/integration_tests/itest_ebands.py +++ b/abipy/integration_tests/itest_ebands.py @@ -12,6 +12,7 @@ from abipy.core.testing import has_matplotlib +import pytest def make_scf_nscf_inputs(tvars, pp_paths, nstep=50): """ diff --git a/abipy/integration_tests/itest_frohlich_zpr.py b/abipy/integration_tests/itest_frohlich_zpr.py index e58529ca9..982b3969a 100644 --- a/abipy/integration_tests/itest_frohlich_zpr.py +++ b/abipy/integration_tests/itest_frohlich_zpr.py @@ -6,6 +6,7 @@ from abipy.dfpt.ddb import DdbFile +import pytest def make_scf_input(usepaw=0): """Returns the GS input file""" diff --git a/abipy/integration_tests/itest_gw.py b/abipy/integration_tests/itest_gw.py index 89bfa0fc0..27bde72d5 100644 --- a/abipy/integration_tests/itest_gw.py +++ b/abipy/integration_tests/itest_gw.py @@ -7,6 +7,7 @@ #from abipy.core.testing import has_abinit, has_matplotlib +import pytest def make_g0w0_inputs(ngkpt, tvars): """ diff --git a/abipy/integration_tests/itest_relaxations.py b/abipy/integration_tests/itest_relaxations.py index 6f56bd256..677557fec 100644 --- a/abipy/integration_tests/itest_relaxations.py +++ b/abipy/integration_tests/itest_relaxations.py @@ -9,6 +9,7 @@ from abipy.core.testing import has_matplotlib +import pytest def ion_relaxation(tvars, ntime=50): structure = abilab.Structure.from_file(abidata.cif_file("si.cif"))