Skip to content

Commit b280fd6

Browse files
njzjznjzjz
committed
fix skipif
1 parent 3a4a0e9 commit b280fd6

10 files changed

Lines changed: 136 additions & 136 deletions

‎source/ipi/tests/test_driver.py‎

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -55,7 +55,7 @@ def write_input(self, atoms, **kwargs) -> None:
5555

5656
@unittest.skipIf(
5757
os.environ.get("ENABLE_TENSORFLOW", "1") != "1",
58-
"Skip test because TensorFlow support is not enabled.",
58+
reason="Skip test because TensorFlow support is not enabled.",
5959
)
6060
class TestDPIPI(unittest.TestCase):
6161
# copy from test_deeppot_a.py
@@ -259,7 +259,7 @@ def test_normalize_coords(self) -> None:
259259

260260
@unittest.skipIf(
261261
os.environ.get("ENABLE_PYTORCH", "1") != "1",
262-
"Skip test because PyTorch support is not enabled.",
262+
reason="Skip test because PyTorch support is not enabled.",
263263
)
264264
class TestDPIPIPt(TestDPIPI):
265265
@classmethod

‎source/lmp/tests/test_lammps_dpa_jax.py‎

Lines changed: 16 additions & 16 deletions
Original file line numberDiff line numberDiff line change
@@ -345,9 +345,9 @@ def test_pair_deepmd_virial(lammps):
345345
) / constants.nktv2p == pytest.approx(expected_v[idx_map, ii])
346346

347347

348-
@pytest.mark.skipIf(
348+
@pytest.mark.skipif(
349349
os.environ.get("ENABLE_TENSORFLOW", "1") != "1",
350-
"Skip test because TensorFlow support is not enabled.",
350+
reason="Skip test because TensorFlow support is not enabled.",
351351
)
352352
def test_pair_deepmd_model_devi(lammps):
353353
lammps.pair_style(
@@ -375,9 +375,9 @@ def test_pair_deepmd_model_devi(lammps):
375375
assert md[3] == pytest.approx(np.sqrt(np.mean(np.square(expected_md_v))))
376376

377377

378-
@pytest.mark.skipIf(
378+
@pytest.mark.skipif(
379379
os.environ.get("ENABLE_TENSORFLOW", "1") != "1",
380-
"Skip test because TensorFlow support is not enabled.",
380+
reason="Skip test because TensorFlow support is not enabled.",
381381
)
382382
def test_pair_deepmd_model_devi_virial(lammps):
383383
lammps.pair_style(
@@ -417,9 +417,9 @@ def test_pair_deepmd_model_devi_virial(lammps):
417417
assert md[3] == pytest.approx(np.sqrt(np.mean(np.square(expected_md_v))))
418418

419419

420-
@pytest.mark.skipIf(
420+
@pytest.mark.skipif(
421421
os.environ.get("ENABLE_TENSORFLOW", "1") != "1",
422-
"Skip test because TensorFlow support is not enabled.",
422+
reason="Skip test because TensorFlow support is not enabled.",
423423
)
424424
def test_pair_deepmd_model_devi_atomic_relative(lammps):
425425
relative = 1.0
@@ -450,9 +450,9 @@ def test_pair_deepmd_model_devi_atomic_relative(lammps):
450450
assert md[3] == pytest.approx(np.sqrt(np.mean(np.square(expected_md_v))))
451451

452452

453-
@pytest.mark.skipIf(
453+
@pytest.mark.skipif(
454454
os.environ.get("ENABLE_TENSORFLOW", "1") != "1",
455-
"Skip test because TensorFlow support is not enabled.",
455+
reason="Skip test because TensorFlow support is not enabled.",
456456
)
457457
def test_pair_deepmd_model_devi_atomic_relative_v(lammps):
458458
relative = 1.0
@@ -540,9 +540,9 @@ def test_pair_deepmd_virial_real(lammps_real):
540540
)
541541

542542

543-
@pytest.mark.skipIf(
543+
@pytest.mark.skipif(
544544
os.environ.get("ENABLE_TENSORFLOW", "1") != "1",
545-
"Skip test because TensorFlow support is not enabled.",
545+
reason="Skip test because TensorFlow support is not enabled.",
546546
)
547547
def test_pair_deepmd_model_devi_real(lammps_real):
548548
lammps_real.pair_style(
@@ -574,9 +574,9 @@ def test_pair_deepmd_model_devi_real(lammps_real):
574574
)
575575

576576

577-
@pytest.mark.skipIf(
577+
@pytest.mark.skipif(
578578
os.environ.get("ENABLE_TENSORFLOW", "1") != "1",
579-
"Skip test because TensorFlow support is not enabled.",
579+
reason="Skip test because TensorFlow support is not enabled.",
580580
)
581581
def test_pair_deepmd_model_devi_virial_real(lammps_real):
582582
lammps_real.pair_style(
@@ -622,9 +622,9 @@ def test_pair_deepmd_model_devi_virial_real(lammps_real):
622622
)
623623

624624

625-
@pytest.mark.skipIf(
625+
@pytest.mark.skipif(
626626
os.environ.get("ENABLE_TENSORFLOW", "1") != "1",
627-
"Skip test because TensorFlow support is not enabled.",
627+
reason="Skip test because TensorFlow support is not enabled.",
628628
)
629629
def test_pair_deepmd_model_devi_atomic_relative_real(lammps_real):
630630
relative = 1.0
@@ -659,9 +659,9 @@ def test_pair_deepmd_model_devi_atomic_relative_real(lammps_real):
659659
)
660660

661661

662-
@pytest.mark.skipIf(
662+
@pytest.mark.skipif(
663663
os.environ.get("ENABLE_TENSORFLOW", "1") != "1",
664-
"Skip test because TensorFlow support is not enabled.",
664+
reason="Skip test because TensorFlow support is not enabled.",
665665
)
666666
def test_pair_deepmd_model_devi_atomic_relative_v_real(lammps_real):
667667
relative = 1.0

‎source/lmp/tests/test_lammps_dpa_pt.py‎

Lines changed: 18 additions & 18 deletions
Original file line numberDiff line numberDiff line change
@@ -341,9 +341,9 @@ def test_pair_deepmd_virial(lammps) -> None:
341341
) / constants.nktv2p == pytest.approx(expected_v[idx_map, ii])
342342

343343

344-
@pytest.mark.skipIf(
344+
@pytest.mark.skipif(
345345
os.environ.get("ENABLE_TENSORFLOW", "1") != "1",
346-
"Skip test because TensorFlow support is not enabled.",
346+
reason="Skip test because TensorFlow support is not enabled.",
347347
)
348348
def test_pair_deepmd_model_devi(lammps) -> None:
349349
lammps.pair_style(
@@ -371,9 +371,9 @@ def test_pair_deepmd_model_devi(lammps) -> None:
371371
assert md[3] == pytest.approx(np.sqrt(np.mean(np.square(expected_md_v))))
372372

373373

374-
@pytest.mark.skipIf(
374+
@pytest.mark.skipif(
375375
os.environ.get("ENABLE_TENSORFLOW", "1") != "1",
376-
"Skip test because TensorFlow support is not enabled.",
376+
reason="Skip test because TensorFlow support is not enabled.",
377377
)
378378
def test_pair_deepmd_model_devi_virial(lammps) -> None:
379379
lammps.pair_style(
@@ -413,9 +413,9 @@ def test_pair_deepmd_model_devi_virial(lammps) -> None:
413413
assert md[3] == pytest.approx(np.sqrt(np.mean(np.square(expected_md_v))))
414414

415415

416-
@pytest.mark.skipIf(
416+
@pytest.mark.skipif(
417417
os.environ.get("ENABLE_TENSORFLOW", "1") != "1",
418-
"Skip test because TensorFlow support is not enabled.",
418+
reason="Skip test because TensorFlow support is not enabled.",
419419
)
420420
def test_pair_deepmd_model_devi_atomic_relative(lammps) -> None:
421421
relative = 1.0
@@ -446,9 +446,9 @@ def test_pair_deepmd_model_devi_atomic_relative(lammps) -> None:
446446
assert md[3] == pytest.approx(np.sqrt(np.mean(np.square(expected_md_v))))
447447

448448

449-
@pytest.mark.skipIf(
449+
@pytest.mark.skipif(
450450
os.environ.get("ENABLE_TENSORFLOW", "1") != "1",
451-
"Skip test because TensorFlow support is not enabled.",
451+
reason="Skip test because TensorFlow support is not enabled.",
452452
)
453453
def test_pair_deepmd_model_devi_atomic_relative_v(lammps) -> None:
454454
relative = 1.0
@@ -536,9 +536,9 @@ def test_pair_deepmd_virial_real(lammps_real) -> None:
536536
)
537537

538538

539-
@pytest.mark.skipIf(
539+
@pytest.mark.skipif(
540540
os.environ.get("ENABLE_TENSORFLOW", "1") != "1",
541-
"Skip test because TensorFlow support is not enabled.",
541+
reason="Skip test because TensorFlow support is not enabled.",
542542
)
543543
def test_pair_deepmd_model_devi_real(lammps_real) -> None:
544544
lammps_real.pair_style(
@@ -570,9 +570,9 @@ def test_pair_deepmd_model_devi_real(lammps_real) -> None:
570570
)
571571

572572

573-
@pytest.mark.skipIf(
573+
@pytest.mark.skipif(
574574
os.environ.get("ENABLE_TENSORFLOW", "1") != "1",
575-
"Skip test because TensorFlow support is not enabled.",
575+
reason="Skip test because TensorFlow support is not enabled.",
576576
)
577577
def test_pair_deepmd_model_devi_virial_real(lammps_real) -> None:
578578
lammps_real.pair_style(
@@ -618,9 +618,9 @@ def test_pair_deepmd_model_devi_virial_real(lammps_real) -> None:
618618
)
619619

620620

621-
@pytest.mark.skipIf(
621+
@pytest.mark.skipif(
622622
os.environ.get("ENABLE_TENSORFLOW", "1") != "1",
623-
"Skip test because TensorFlow support is not enabled.",
623+
reason="Skip test because TensorFlow support is not enabled.",
624624
)
625625
def test_pair_deepmd_model_devi_atomic_relative_real(lammps_real) -> None:
626626
relative = 1.0
@@ -655,9 +655,9 @@ def test_pair_deepmd_model_devi_atomic_relative_real(lammps_real) -> None:
655655
)
656656

657657

658-
@pytest.mark.skipIf(
658+
@pytest.mark.skipif(
659659
os.environ.get("ENABLE_TENSORFLOW", "1") != "1",
660-
"Skip test because TensorFlow support is not enabled.",
660+
reason="Skip test because TensorFlow support is not enabled.",
661661
)
662662
def test_pair_deepmd_model_devi_atomic_relative_v_real(lammps_real) -> None:
663663
relative = 1.0
@@ -718,9 +718,9 @@ def test_pair_deepmd_si(lammps_si) -> None:
718718
("balance_args",),
719719
[(["--balance"],), ([],)],
720720
)
721-
@pytest.mark.skipIf(
721+
@pytest.mark.skipif(
722722
os.environ.get("ENABLE_TENSORFLOW", "1") != "1",
723-
"Skip test because TensorFlow support is not enabled.",
723+
reason="Skip test because TensorFlow support is not enabled.",
724724
)
725725
def test_pair_deepmd_mpi(balance_args: list) -> None:
726726
with tempfile.NamedTemporaryFile() as f:

‎source/lmp/tests/test_lammps_dpa_pt_nopbc.py‎

Lines changed: 18 additions & 18 deletions
Original file line numberDiff line numberDiff line change
@@ -339,9 +339,9 @@ def test_pair_deepmd_virial(lammps) -> None:
339339
) / constants.nktv2p == pytest.approx(expected_v[idx_map, ii])
340340

341341

342-
@pytest.mark.skipIf(
342+
@pytest.mark.skipif(
343343
os.environ.get("ENABLE_TENSORFLOW", "1") != "1",
344-
"Skip test because TensorFlow support is not enabled.",
344+
reason="Skip test because TensorFlow support is not enabled.",
345345
)
346346
def test_pair_deepmd_model_devi(lammps) -> None:
347347
lammps.pair_style(
@@ -369,9 +369,9 @@ def test_pair_deepmd_model_devi(lammps) -> None:
369369
assert md[3] == pytest.approx(np.sqrt(np.mean(np.square(expected_md_v))))
370370

371371

372-
@pytest.mark.skipIf(
372+
@pytest.mark.skipif(
373373
os.environ.get("ENABLE_TENSORFLOW", "1") != "1",
374-
"Skip test because TensorFlow support is not enabled.",
374+
reason="Skip test because TensorFlow support is not enabled.",
375375
)
376376
def test_pair_deepmd_model_devi_virial(lammps) -> None:
377377
lammps.pair_style(
@@ -411,9 +411,9 @@ def test_pair_deepmd_model_devi_virial(lammps) -> None:
411411
assert md[3] == pytest.approx(np.sqrt(np.mean(np.square(expected_md_v))))
412412

413413

414-
@pytest.mark.skipIf(
414+
@pytest.mark.skipif(
415415
os.environ.get("ENABLE_TENSORFLOW", "1") != "1",
416-
"Skip test because TensorFlow support is not enabled.",
416+
reason="Skip test because TensorFlow support is not enabled.",
417417
)
418418
def test_pair_deepmd_model_devi_atomic_relative(lammps) -> None:
419419
relative = 1.0
@@ -444,9 +444,9 @@ def test_pair_deepmd_model_devi_atomic_relative(lammps) -> None:
444444
assert md[3] == pytest.approx(np.sqrt(np.mean(np.square(expected_md_v))))
445445

446446

447-
@pytest.mark.skipIf(
447+
@pytest.mark.skipif(
448448
os.environ.get("ENABLE_TENSORFLOW", "1") != "1",
449-
"Skip test because TensorFlow support is not enabled.",
449+
reason="Skip test because TensorFlow support is not enabled.",
450450
)
451451
def test_pair_deepmd_model_devi_atomic_relative_v(lammps) -> None:
452452
relative = 1.0
@@ -534,9 +534,9 @@ def test_pair_deepmd_virial_real(lammps_real) -> None:
534534
)
535535

536536

537-
@pytest.mark.skipIf(
537+
@pytest.mark.skipif(
538538
os.environ.get("ENABLE_TENSORFLOW", "1") != "1",
539-
"Skip test because TensorFlow support is not enabled.",
539+
reason="Skip test because TensorFlow support is not enabled.",
540540
)
541541
def test_pair_deepmd_model_devi_real(lammps_real) -> None:
542542
lammps_real.pair_style(
@@ -568,9 +568,9 @@ def test_pair_deepmd_model_devi_real(lammps_real) -> None:
568568
)
569569

570570

571-
@pytest.mark.skipIf(
571+
@pytest.mark.skipif(
572572
os.environ.get("ENABLE_TENSORFLOW", "1") != "1",
573-
"Skip test because TensorFlow support is not enabled.",
573+
reason="Skip test because TensorFlow support is not enabled.",
574574
)
575575
def test_pair_deepmd_model_devi_virial_real(lammps_real) -> None:
576576
lammps_real.pair_style(
@@ -616,9 +616,9 @@ def test_pair_deepmd_model_devi_virial_real(lammps_real) -> None:
616616
)
617617

618618

619-
@pytest.mark.skipIf(
619+
@pytest.mark.skipif(
620620
os.environ.get("ENABLE_TENSORFLOW", "1") != "1",
621-
"Skip test because TensorFlow support is not enabled.",
621+
reason="Skip test because TensorFlow support is not enabled.",
622622
)
623623
def test_pair_deepmd_model_devi_atomic_relative_real(lammps_real) -> None:
624624
relative = 1.0
@@ -653,9 +653,9 @@ def test_pair_deepmd_model_devi_atomic_relative_real(lammps_real) -> None:
653653
)
654654

655655

656-
@pytest.mark.skipIf(
656+
@pytest.mark.skipif(
657657
os.environ.get("ENABLE_TENSORFLOW", "1") != "1",
658-
"Skip test because TensorFlow support is not enabled.",
658+
reason="Skip test because TensorFlow support is not enabled.",
659659
)
660660
def test_pair_deepmd_model_devi_atomic_relative_v_real(lammps_real) -> None:
661661
relative = 1.0
@@ -716,9 +716,9 @@ def test_pair_deepmd_si(lammps_si) -> None:
716716
("balance_args",),
717717
[(["--balance"],), ([],)],
718718
)
719-
@pytest.mark.skipIf(
719+
@pytest.mark.skipif(
720720
os.environ.get("ENABLE_TENSORFLOW", "1") != "1",
721-
"Skip test because TensorFlow support is not enabled.",
721+
reason="Skip test because TensorFlow support is not enabled.",
722722
)
723723
def test_pair_deepmd_mpi(balance_args: list) -> None:
724724
with tempfile.NamedTemporaryFile() as f:

0 commit comments

Comments
 (0)