From 8d201d19a406d2e71c2f1dd441ec37d26aaceaff Mon Sep 17 00:00:00 2001
From: Matteo Giantomassi <gmatteo@gmail.com>
Date: Fri, 9 Aug 2024 19:06:22 +0200
Subject: [PATCH] Disable test for Structure.from_cod

---
 abipy/core/testing.py                | 17 +++++++++++++++++
 abipy/core/tests/test_structure.py   |  8 +++++---
 abipy/electrons/effmass_analyzer.py  |  2 +-
 abipy/electrons/tests/test_ebands.py |  9 +++++----
 abipy/ml/aseml.py                    |  2 ++
 5 files changed, 30 insertions(+), 8 deletions(-)

diff --git a/abipy/core/testing.py b/abipy/core/testing.py
index 56596fe4b..c0c41a95b 100644
--- a/abipy/core/testing.py
+++ b/abipy/core/testing.py
@@ -343,6 +343,23 @@ def test_mprester():
         #raise unittest.SkipTest("MPRester tests have been disabled")
         return True
 
+    def is_url_reachable(url: str) -> bool:
+        """check if a URL is reachable:"""
+        import requests
+        try:
+            # Send a HEAD request to the URL
+            response = requests.head(url, timeout=5)
+
+            # Check if the response status code is 200 (OK)
+            if response.status_code == 200:
+                return True
+            else:
+                return False
+        except requests.exceptions.RequestException as e:
+            # Handle any request exceptions (e.g., connection errors)
+            #print(f"Error: {e}")
+            return False
+
     @staticmethod
     def has_matplotlib(version: Optional[str] = None, op: str = ">=") -> bool:
         return has_matplotlib(version=version, op=op)
diff --git a/abipy/core/tests/test_structure.py b/abipy/core/tests/test_structure.py
index e908e87bf..4a03934ef 100644
--- a/abipy/core/tests/test_structure.py
+++ b/abipy/core/tests/test_structure.py
@@ -222,9 +222,11 @@ def test_utils(self):
         d = llzo.abiget_spginfo(tolsym=0.001)
         assert d["spg_number"] == 142
 
-        mgb2_cod = Structure.from_cod_id(1526507, primitive=True)
-        assert mgb2_cod.formula == "Mg1 B2"
-        assert mgb2_cod.spget_lattice_type() == "hexagonal"
+        # Temporarily disables ad webserver is down.
+        #if self.is_url_reachable("www.crystallography.net"):
+        #    mgb2_cod = Structure.from_cod_id(1526507, primitive=True)
+        #    assert mgb2_cod.formula == "Mg1 B2"
+        #    assert mgb2_cod.spget_lattice_type() == "hexagonal"
 
         mgb2 = abidata.structure_from_ucell("MgB2")
         if self.has_ase():
diff --git a/abipy/electrons/effmass_analyzer.py b/abipy/electrons/effmass_analyzer.py
index b3d2da678..f6810209d 100644
--- a/abipy/electrons/effmass_analyzer.py
+++ b/abipy/electrons/effmass_analyzer.py
@@ -294,7 +294,7 @@ def plot_all_segments(self, ax=None, colormap="viridis", fontsize=8, **kwargs) -
             pad += 10
 
         #title = "k: %s, spin: %s, nband: %d" % (repr(self.efm_kpoint), self.spin, segment.nb)
-        set_grid_legend(ax, fontsize, ylabel='Energy (eV)', title=title)
+        set_grid_legend(ax, fontsize, ylabel='Energy (eV)') #, title=title)
 
         return fig
 
diff --git a/abipy/electrons/tests/test_ebands.py b/abipy/electrons/tests/test_ebands.py
index 1d347108e..5334f35ec 100644
--- a/abipy/electrons/tests/test_ebands.py
+++ b/abipy/electrons/tests/test_ebands.py
@@ -283,13 +283,14 @@ def test_silicon_ebands(self):
         with self.assertRaises(NotImplementedError):
             si_ebands_kmesh.get_edos(method="tetrahedron")
 
-        si_edos = si_ebands_kmesh.get_edos(step=0.1, width=0.2)
+        edos_kwargs = dict(step=0.1, width=0.2)
+        si_edos = si_ebands_kmesh.get_edos(**edos_kwargs)
         repr(si_edos); str(si_edos)
         assert ElectronDos.as_edos(si_edos, {}) is si_edos
         assert si_edos == si_edos and not (si_edos != si_edos)
-        edos_samevals = ElectronDos.as_edos(si_ebands_kmesh, {})
-        assert ElectronDos.as_edos(si_ebands_kmesh, {}) == si_edos
-        assert ElectronDos.as_edos(abidata.ref_file("si_scf_GSR.nc"), {}) == si_edos
+        edos_samevals = ElectronDos.as_edos(si_ebands_kmesh, edos_kwargs)
+        assert ElectronDos.as_edos(si_ebands_kmesh, edos_kwargs=edos_kwargs) == si_edos
+        assert ElectronDos.as_edos(abidata.ref_file("si_scf_GSR.nc"), edos_kwargs=edos_kwargs) == si_edos
         with self.assertRaises(TypeError):
             ElectronDos.as_edos({}, {})
 
diff --git a/abipy/ml/aseml.py b/abipy/ml/aseml.py
index 1e9ef9475..4d6ca2717 100644
--- a/abipy/ml/aseml.py
+++ b/abipy/ml/aseml.py
@@ -1482,7 +1482,9 @@ def __init__(self, name: str, dftd3_args=None, **kwargs):
         if ":" in name:
             self.nn_type, last = name.split(":")
             if last.endswith(".yaml") or last.endswith(".yml"):
+                print("Reading Calculator kwargs from file:", last)
                 self.calc_kwargs = yaml_safe_load_path(last)
+                print("calc_kwargs:", self.calc_kwargs)
             else:
                 self.model_name = last