xfail for netcdf4 in ubuntu CI

Author: DanielYang59

tests/io/abinit/test_netcdf.py

@@ -1,6 +1,7 @@
 from __future__ import annotations
 
 import os
+import sys
 import tarfile
 
 import numpy as np
@@ -60,7 +61,6 @@ def test_read_si2(self):
             for varname, float_ref in ref_float_values.items():
                 value = data.read_value(varname)
                 assert_allclose(value, float_ref)
-            # assert 0
 
             # Reading non-existent variables or dims should raise
             # a subclass of NetcdReaderError
@@ -83,48 +83,31 @@ def test_read_si2(self):
             # xc = data.read_abinit_xcfunc()
             # assert xc == "LDA"
 
-    @pytest.mark.skipif(netCDF4 is None, reason="Requires Netcdf4")
-    def test_read_fe(self):
-        import h5py
-
-        print("\n=== netCDF4 / HDF5 diagnostic info ===")
-        print(f"netCDF4 version: {netCDF4.__version__}")
-        print(f"h5py version: {h5py.__version__}")
-        print(f"HDF5 C library version: {h5py.version.hdf5_version}")
-        print(f"NumPy version: {np.__version__}")
-        print(f"Current working directory: {os.getcwd()}")
-        print(f"Files in cwd: {os.listdir('.')}")
-        print("======================================\n")
-
-        with tarfile.open(f"{TEST_DIR}/Fe_magmoms_collinear_GSR.tar.xz", mode="r:xz") as t:
-            for member in t.getmembers():
-                if member.name.endswith(".nc"):
-                    with t.extractfile(member) as src, open(os.path.basename(member.name), "wb") as dst:
-                        dst.write(src.read())
-
-            print(f"Files in cwd after extraction: {os.listdir('.')}")
-
-            ref_magmom_collinear = [-0.5069359730980665]
-            path = os.path.join(".", "Fe_magmoms_collinear_GSR.nc")
-
-            # TODO: PR4128, EtsfReader would fail in Ubuntu CI with netCDF4 > 1.6.5
-            # Need someone with knowledge in netCDF4 to fix it
-            with EtsfReader(path) as data:
-                structure = data.read_structure()
-                assert structure.site_properties["magmom"] == ref_magmom_collinear
-
-        with tarfile.open(f"{TEST_DIR}/Fe_magmoms_noncollinear_GSR.tar.xz", mode="r:xz") as t:
+    @pytest.mark.skipif(netCDF4 is None, reason="Requires NetCDF4")
+    @pytest.mark.xfail(
+        sys.platform.startswith("linux") and os.getenv("CI") and netCDF4.__version__ >= "1.6.5",
+        reason="Fails with netCDF4 >= 1.6.5 on Ubuntu CI",
+    )
+    @pytest.mark.parametrize(
+        ("tarname", "expected"),
+        [
+            ("Fe_magmoms_collinear_GSR.tar.xz", [-0.5069359730980665]),
+            ("Fe_magmoms_noncollinear_GSR.tar.xz", [[0.357939487, 0.357939487, 0]]),
+        ],
+    )
+    def test_read_fe(self, tarname, expected):
+        with tarfile.open(os.path.join(TEST_DIR, tarname), mode="r:xz") as t:
             # TODO: remove attr check after only 3.12+
             if hasattr(tarfile, "data_filter"):
                 t.extractall(".", filter="data")
             else:
                 t.extractall(".")  # noqa: S202
-            ref_magmom_noncollinear = [[0.357939487, 0.357939487, 0]]
-            path = os.path.join(".", "Fe_magmoms_noncollinear_GSR.nc")
+
+            path = os.path.basename(tarname).replace(".tar.xz", ".nc")
 
             with EtsfReader(path) as data:
                 structure = data.read_structure()
-                assert structure.site_properties["magmom"] == ref_magmom_noncollinear
+                assert structure.site_properties["magmom"] == expected
 
 
 class TestAbinitHeader(MatSciTest):