revert for a separate migration PR

tests/command_line/test_enumlib_caller.py

@@ -1,5 +1,6 @@
 from __future__ import annotations
 
+import unittest
 from shutil import which
 
 import numpy as np
@@ -13,11 +14,12 @@
 from pymatgen.transformations.standard_transformations import SubstitutionTransformation
 from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest
 
-ENUM_CMD = which("enum.x") or which("multienum.x")
-MAKESTR_CMD = which("makestr.x") or which("makeStr.x") or which("makeStr.py")
+enum_cmd = which("enum.x") or which("multienum.x")
+makestr_cmd = which("makestr.x") or which("makeStr.x") or which("makeStr.py")
+enumlib_present = enum_cmd and makestr_cmd
 
 
-@pytest.mark.skipif(not (ENUM_CMD and MAKESTR_CMD), reason="enumlib not present.")
+@pytest.mark.skipif(not enumlib_present, reason="enum_lib not present.")
 class TestEnumlibAdaptor(PymatgenTest):
     def test_init(self):
         struct = self.get_structure("LiFePO4")
@@ -117,7 +119,7 @@ def test_partial_disorder(self):
         for struct in structures:
             assert struct.formula == "Ca12 Al8 Si4 Ge8 O48"
 
-    @pytest.mark.skip("Fails seemingly at random.")
+    @unittest.skip("Fails seemingly at random.")
     def test_timeout(self):
         struct = Structure.from_file(filename=f"{TEST_FILES_DIR}/cif/garnet.cif")
         SpacegroupAnalyzer(struct, 0.1)

tests/command_line/test_gulp_caller.py

@@ -8,6 +8,7 @@
 
 import os
 import sys
+import unittest
 from shutil import which
 from unittest import TestCase
 
@@ -29,15 +30,13 @@
 
 TEST_DIR = f"{TEST_FILES_DIR}/command_line/gulp"
 
-GULP_PRESENT = which("gulp") and os.getenv("GULP_LIB") and ("win" not in sys.platform)
-# Disable GULP tests for now: it is compiled against `libgfortran3``,
-# which is no longer supported in Ubuntu 20.04 and onwards.
-GULP_PRESENT = False
-
-if not GULP_PRESENT:
-    pytest.skip(reason="GULP not available", allow_module_level=True)
+gulp_present = which("gulp") and os.getenv("GULP_LIB") and ("win" not in sys.platform)
+# disable gulp tests for now. Right now, it is compiled against libgfortran3, which is no longer supported in the new
+# Ubuntu 20.04.
+gulp_present = False
 
 
+@pytest.mark.skipif(not gulp_present, reason="gulp not present.")
 class TestGulpCaller:
     def test_run(self):
         mgo_lattice = np.eye(3) * 4.212
@@ -106,6 +105,7 @@ def test_decimal(self):
         caller.run(buckingham_input)
 
 
+@pytest.mark.skipif(not gulp_present, reason="gulp not present.")
 class TestGulpIO(TestCase):
     def setUp(self):
         self.structure = Structure.from_file(f"{VASP_IN_DIR}/POSCAR_Al12O18")
@@ -271,11 +271,12 @@ def test_get_relaxed_structure(self):
         assert struct.lattice.a == 4.212
         assert struct.lattice.alpha == 90
 
-    @pytest.mark.skip("Test later")
+    @unittest.skip("Test later")
     def test_tersoff_input(self):
         self.gio.tersoff_input(self.structure)
 
 
+@pytest.mark.skipif(not gulp_present, reason="gulp not present.")
 class TestGlobalFunctions(TestCase):
     def setUp(self):
         mgo_latt = np.eye(3) * 4.212
@@ -327,6 +328,7 @@ def test_get_energy_relax_structure_buckingham(self):
         assert site_len == len(self.mgo_uc)
 
 
+@pytest.mark.skipif(not gulp_present, reason="gulp not present.")
 class TestBuckinghamPotentialLewis(TestCase):
     def setUp(self):
         self.bpl = BuckinghamPotential("lewis")
@@ -354,6 +356,7 @@ def test_spring(self):
         assert self.bpl.spring_dict["O"] != ""
 
 
+@pytest.mark.skipif(not gulp_present, reason="gulp not present.")
 class TestBuckinghamPotentialBush(TestCase):
     def setUp(self):
         self.bpb = BuckinghamPotential("bush")

tests/core/test_surface.py

@@ -2,9 +2,9 @@
 
 import json
 import os
+import unittest
 
 import numpy as np
-import pytest
 from numpy.testing import assert_allclose
 from pytest import approx
 
@@ -697,7 +697,7 @@ def test_get_d(self):
         s2 = recon2.get_unreconstructed_slabs()[0]
         assert get_d(s1) == approx(get_d(s2))
 
-    @pytest.mark.skip("This test relies on neighbor orders and is hard coded. Disable temporarily")
+    @unittest.skip("This test relies on neighbor orders and is hard coded. Disable temporarily")
     def test_previous_reconstructions(self):
         # Test to see if we generated all reconstruction types correctly and nothing changes
 

tests/io/test_zeopp.py

@@ -1,5 +1,6 @@
 from __future__ import annotations
 
+import unittest
 from unittest import TestCase
 
 import pytest
@@ -166,7 +167,7 @@ def test_get_voronoi_nodes(self):
         assert isinstance(vor_face_center_struct, Structure)
 
 
-@pytest.mark.skip("TODO: file free_sph.cif not present")
+@unittest.skip("TODO: file free_sph.cif not present")
 class TestGetFreeSphereParams(TestCase):
     def setUp(self):
         filepath = f"{TEST_FILES_DIR}/cif/free_sph.cif"

tests/io/vasp/test_sets.py

@@ -2,6 +2,7 @@
 
 import hashlib
 import os
+import unittest
 from glob import glob
 from zipfile import ZipFile
 
@@ -1606,7 +1607,7 @@ def test_user_incar_settings(self):
         assert not vis.incar["LASPH"], "LASPH user setting not applied"
         assert vis.incar["VDW_SR"] == 1.5, "VDW_SR user setting not applied"
 
-    @pytest.mark.skipif(not os.path.exists(TEST_DIR), reason="Test files are not present.")
+    @unittest.skipIf(not os.path.exists(TEST_DIR), "Test files are not present.")
     def test_from_prev_calc(self):
         prev_run = os.path.join(TEST_DIR, "fixtures", "relaxation")
 
@@ -1623,7 +1624,7 @@ def test_from_prev_calc(self):
         assert "VDW_A2" in vis_bj.incar
         assert "VDW_S8" in vis_bj.incar
 
-    @pytest.mark.skipif(not os.path.exists(TEST_DIR), reason="Test files are not present.")
+    @unittest.skipIf(not os.path.exists(TEST_DIR), "Test files are not present.")
     def test_override_from_prev_calc(self):
         prev_run = os.path.join(TEST_DIR, "fixtures", "relaxation")