fix source file name in unit test

tests/test_mdcath.py

@@ -10,7 +10,7 @@
 
 def test_mdcath(tmpdir):
     num_atoms_list = np.linspace(50, 1000, 50)
-    source_file = h5py.File(join(tmpdir, "source.h5"), mode="w")
+    source_file = h5py.File(join(tmpdir, "mdcath_source.h5"), mode="w")
     for num_atoms in num_atoms_list:
         z = np.zeros(int(num_atoms))
         pos = np.zeros((100, int(num_atoms), 3))
@@ -68,7 +68,7 @@ def test_mdcath_multiprocessing(tmpdir, num_entries=100, numFrames=10):
     pos = np.zeros((numFrames, num_entries, 3))
     forces = np.zeros((numFrames, num_entries, 3))
 
-    source_file = h5py.File(join(tmpdir, "source.h5"), mode="w")
+    source_file = h5py.File(join(tmpdir, "mdcath_source.h5"), mode="w")
     s_group = source_file.create_group("A00")
 
     s_group.attrs["numChains"] = 1
@@ -108,7 +108,6 @@ def test_mdcath_multiprocessing(tmpdir, num_entries=100, numFrames=10):
 
     dset = MDCATH(
         root=tmpdir,
-        source_file=join(tmpdir, "source.h5"),
     )
     assert len(proc.open_files()) == n_open, "creating the dataset object opened a file"
 
@@ -125,7 +124,7 @@ def replacer(arr, skipframes):
 @mark.parametrize("batch_size", [1, 10])
 def test_mdcath_skipframes(tmpdir, skipframes, batch_size):
 
-    with h5py.File(join(tmpdir, "source.h5"), mode="w") as source_file:
+    with h5py.File(join(tmpdir, "mdcath_source.h5"), mode="w") as source_file:
         num_frames_list = np.linspace(50, 1000, 50).astype(int)
         for num_frame in tqdm(num_frames_list, desc="Creating tmp files"):
             z = np.zeros(100)
@@ -169,7 +168,7 @@ def test_mdcath_skipframes(tmpdir, skipframes, batch_size):
             data.close()
 
     dataset = MDCATH(
-        root=tmpdir, skipFrames=skipframes, source_file=join(tmpdir, "source.h5")
+        root=tmpdir, skipFrames=skipframes
     )
     dl = DataLoader(
         dataset,