Close files, increase lpratio in unit tests

abipy/core/skw.py

@@ -799,7 +799,6 @@ def __init__(self, lpratio, kpts, eigens, fermie, nelect, cell, symrel, has_timr
                 de_kbs[:, ib, spin] = eigens[spin, 0:nkpt-1, ib] - eigens[spin, nkpt-1, ib]
 
         # Solve all bands and spins at once
-        #call np.linalg.zhesv("U", nkpt-1, nband*nsppol, hmat, nkpt-1, ipiv, lmbs, nkpt-1, work, lwork, ierr)
         try:
             lmb_kbs = scipy.linalg.solve(hmat, np.reshape(de_kbs, (-1, nband * nsppol)),
                     sym_pos=True, lower=False, overwrite_a=True, overwrite_b=True, check_finite=False)

abipy/dfpt/tests/test_phonons.py

@@ -85,6 +85,7 @@ def test_plot_functions(self):
         fig = phbands_gridplot(phb_objects, titles=["phonons1", "phonons2"],
                                phdos_objects=phdos_objects, show=False)
         assert fig is not None
+        phdos.close()
 
 
 class PhbstFileTest(AbipyTest):
@@ -164,7 +165,6 @@ class InteratomicForceConstantsTest(AbipyTest):
     @classmethod
     def setUpClass(cls):
         cls.ddb = DdbFile(os.path.join(test_dir, "AlAs_444_nobecs_DDB"))
-
         cls.ifc = cls.ddb.anaget_ifc(ifcout=40, ngqpt=[4,4,4], verbose=1)
 
     @classmethod

abipy/electrons/scr.py

@@ -22,7 +22,7 @@
 
 
 class WGGFunction(object):
-    """
+    r"""
     Base class for two-point functions expressed in
     reciprocal space i.e. a matrix $A_{G,G'}(q, \omega)$
 

abipy/electrons/tests/test_ebands.py

@@ -136,9 +136,12 @@ def test_jdos(self):
         with self.assertRaises(ValueError):
             nscf_bands.get_ejdos(spin, 0, 4)
 
+    def test_ebands_skw_interpolation(self):
+        bands = ElectronBands.from_file(abidata.ref_file("si_scf_GSR.nc"))
+
         # Test interpolate.
-        vertices_names=[((0.0, 0.0, 0.0), "G"), ((0.5, 0.5, 0.0), "M")]
-        r = bands.interpolate(lpratio=5, vertices_names=vertices_names, kmesh=[8, 8, 8], verbose=1)
+        vertices_names = [((0.0, 0.0, 0.0), "G"), ((0.5, 0.5, 0.0), "M")]
+        r = bands.interpolate(lpratio=10, vertices_names=vertices_names, kmesh=[8, 8, 8], verbose=1)
         assert r.ebands_kpath is not None
         assert r.ebands_kpath.kpoints.is_path
         assert not r.ebands_kpath.kpoints.is_ibz

abipy/iotools/tests/test_xsf.py

@@ -38,6 +38,7 @@ def test_xsf_write_structure(self):
 """
         tmp_file.seek(0)
         self.assertMultiLineEqual(tmp_file.read(), xsf_string)
+        tmp_file.close()
 
     def test_xsf_write_data(self):
         """Testing XSF file with datasets."""
@@ -86,6 +87,7 @@ def test_xsf_write_data(self):
         xsf_write_data(tmp_file, self.mgb2, cplx_data, cplx_mode="re")
         tmp_file.seek(0)
         self.assertMultiLineEqual(tmp_file.read(), xsf_string)
+        tmp_file.close()
 
     def test_bxsf_write(self):
         tmp_file = tempfile.TemporaryFile(mode="w+")
@@ -141,8 +143,4 @@ def test_bxsf_write(self):
         print(xsf_string)
         self.maxDiff = None
         self.assertMultiLineEqual(s, xsf_string)
-
-
-if __name__ == "__main__":
-    import unittest
-    unittest.main()
+        tmp_file.close()