From f6d7464d874eadbc08202a2545e263feab48a88c Mon Sep 17 00:00:00 2001
From: Marvin Friede <51965259+marvinfriede@users.noreply.github.com>
Date: Tue, 25 Jul 2023 14:26:45 +0200
Subject: [PATCH] Bump version (#28)

---
 src/tad_dftd3/__version__.py   |  2 +-
 tests/test_utils/test_cdist.py | 12 ++++++++----
 2 files changed, 9 insertions(+), 5 deletions(-)

diff --git a/src/tad_dftd3/__version__.py b/src/tad_dftd3/__version__.py
index a5ae512..be774a8 100644
--- a/src/tad_dftd3/__version__.py
+++ b/src/tad_dftd3/__version__.py
@@ -17,6 +17,6 @@
 """
 import torch
 
-__version__ = "0.1.3"
+__version__ = "0.1.4"
 
 __torch_version__ = torch.__version__
diff --git a/tests/test_utils/test_cdist.py b/tests/test_utils/test_cdist.py
index 9486a0c..dced45a 100644
--- a/tests/test_utils/test_cdist.py
+++ b/tests/test_utils/test_cdist.py
@@ -24,24 +24,28 @@
 
 @pytest.mark.parametrize("dtype", [torch.float32, torch.float64])
 def test_all(dtype: torch.dtype) -> None:
+    tol = 1e-6 if dtype == torch.float else 1e-14
+
     x = torch.randn(2, 3, 4, dtype=dtype)
 
     d1 = util.cdist(x)
     d2 = util.distance.cdist_direct_expansion(x, x, p=2)
     d3 = util.distance.euclidean_dist_quadratic_expansion(x, x)
 
-    assert pytest.approx(d1) == d2
-    assert pytest.approx(d2) == d3
-    assert pytest.approx(d3) == d1
+    assert pytest.approx(d1, abs=tol) == d2
+    assert pytest.approx(d2, abs=tol) == d3
+    assert pytest.approx(d3, abs=tol) == d1
 
 
 @pytest.mark.parametrize("dtype", [torch.float32, torch.float64])
 @pytest.mark.parametrize("p", [2, 3, 4, 5])
 def test_ps(dtype: torch.dtype, p: int) -> None:
+    tol = 1e-6 if dtype == torch.float else 1e-14
+
     x = torch.randn(2, 4, 5, dtype=dtype)
     y = torch.randn(2, 4, 5, dtype=dtype)
 
     d1 = util.cdist(x, y, p=p)
     d2 = torch.cdist(x, y, p=p)
 
-    assert pytest.approx(d1) == d2
+    assert pytest.approx(d1, abs=tol) == d2