Fix travis

.travis.yml

@@ -6,11 +6,11 @@ sudo: false
 
 env:
   global:
-    - ABINIT_VERSION=8.8.2
-    - ABIPY_PYTEST=yes
-    - OPENBLAS_NUM_THREADS=1
-    - OMP_NUM_THREADS=1
-    - secure: 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
+  - ABINIT_VERSION=8.8.2
+  - ABIPY_PYTEST=yes
+  - OPENBLAS_NUM_THREADS=1
+  - OMP_NUM_THREADS=1
+  - secure: l+S0aIlco/q33mJhkX76/WykVvALOIPSBIq8smQUUXbGj7kBCjNLCj8P26WnjB5FwUFKjh5svlCrT0oqdiiSimVUuUKdozB8zKa0fyMa8G1//WKSwwsfVlQlcDxWEh9pT7Ox39Jau1ODz31tYvVwdCgEQohk/0uc92uLp4/Q9gSfLdtyW1qGx+2fFBO/Slfb6makdYsRk+QQmHwC+lqnghhzP4dIbWmSy1+EDGcSQN9UFWPEcYi3Thh9TAkZ1iQEEDQptebddESYPPHlgvWfk1hGaBG481jI/Ydmz6FFbXkLCY/bLZ/cntzPEImZFJVGEbK5nfWJpd6es9KcslMPDW5sDWbd6pL4W/mkUGdAqq/Mi/hr/yECmBLmbt13BzyPDqbfwkv/kRGqIKOHVv6RtpgaIoZXe/OR/M9kY+lI6/Oye7MgknRqzYqt6Nh6bXno3LyvDHwfApN9aUqUx6LFAmpZ2/Ki6CAvl54oXR9CPNQPzDQ5Rprjia4GJogPHQ2MsceNbIimZJXSqN9vLnhB5aYF5Oh+9out1Uv9n2D42vadguCvvjUJJWLMfqFtLDT9rme1Ye1cHtajDvDpXS1ddfvts5bum17nLUiE+mfViJBjwvJwSEGJoeQzfln4i4jQo3VQFoZDDRPJKT3cooeNdhtB09gfF0SbcB16A2DCquk=
 
 matrix:
   include:

abipy/abio/tests/test_abivars_db.py

@@ -69,7 +69,7 @@ class AbinitVariableDatabaseTest(AbipyTest):
 
         ecut_var = docvar("ecut")
         assert ecut_var.name == "ecut"
-        assert ecut_var.executable = "abinit"
+        assert ecut_var.executable == "abinit"
 
         elaflag = docvar("elaflag", executable="anaddb")
         assert elaflag.name == "alaflag"

abipy/core/testing.py

@@ -51,7 +51,7 @@ def has_abinit(version=None, op=">=", manager=None):
     from abipy.flowtk import TaskManager, AbinitBuild
     manager = TaskManager.from_user_config() if manager is None else manager
     build = AbinitBuild(manager=manager)
-    if version is not None:
+    if version is None:
         return build.version != "0.0.0"
     else:
         return cmp_version(build.version, version, op=op)

abipy/dfpt/anaddbnc.py

@@ -266,18 +266,9 @@ class AnaddbNcRobot(Robot):
         return all(ncfile.has_elastic_data for ncfile in self.abifiles)
 
     def get_dataframe(self):
-
         if self.has_elastic_data:
             return self.get_elastic_dataframe()
-            #for ncfile in self.abifiles:
-            #    df = ncfile.elastic_data.get_elast_properties_dataframe(etypes=["elastic_relaxed"])
-            #    df_list.append(df)
-
-            #df_list = []
-            #df = pd.concat(df_list, ignore_index=True)
-            #df["labels"] = list(self.keys())
-            #df.set_index("labels", inplace=True)
-            #return df
+        return None
 
     def get_elastic_dataframe(self, with_geo=True, abspath=False, with_params=False, funcs=None, **kwargs):
         """
@@ -370,34 +361,6 @@ class AnaddbNcRobot(Robot):
     #def get_voigt_dataframe(self, tensor_names):
     #    ncfile.get_voigt_dataframe(self, tensor_names):
 
-#    @add_fig_kwargs
-#    def plot_gsr_convergence(self, sortby=None, hue=None, fontsize=6,
-#                             items=("energy", "pressure", "max_force"), **kwargs):
-#        """
-#        Plot the convergence of the most important quantities available in the GSR file
-#        wrt to the ``sortby`` parameter. Values can optionally be grouped by ``hue``.
-#
-#        Args:
-#            sortby: Define the convergence parameter, sort files and produce plot labels.
-#                Can be None, string or function. If None, no sorting is performed.
-#                If string and not empty it's assumed that the abifile has an attribute
-#                with the same name and `getattr` is invoked.
-#                If callable, the output of sortby(abifile) is used.
-#            hue: Variable that define subsets of the data, which will be drawn on separate lines.
-#                Accepts callable or string
-#                If string, it's assumed that the abifile has an attribute with the same name and getattr is invoked.
-#                If callable, the output of hue(abifile) is used.
-#            items: List of GSR attributes (or callables) to be analyzed.
-#            fontsize: legend and label fontsize.
-#
-#        Returns: |matplotlib-Figure|
-#
-#        Example:
-#
-#             robot.plot_gsr_convergence(sortby="nkpt", hue="tsmear")
-#        """
-#        return self.plot_convergence_items(items, sortby=sortby, hue=hue, fontsize=fontsize, show=False, **kwargs)
-
     def yield_figs(self, **kwargs):  # pragma: no cover
         """
         This function *generates* a predefined list of matplotlib figures with minimal input from the user.

abipy/dfpt/ddb.py

@@ -11,7 +11,7 @@ import pandas as pd
 import abipy.core.abinit_units as abu
 
 from collections import OrderedDict
-from six.moves import map, zip, StringIO
+from six.moves import map, zip
 from monty.string import marquee, list_strings
 from monty.collections import AttrDict, dict2namedtuple, tree
 from monty.functools import lazy_property
@@ -21,7 +21,6 @@ from abipy.core.mixins import TextFile, Has_Structure, NotebookWriter
 from abipy.core.symmetries import AbinitSpaceGroup
 from abipy.core.structure import Structure
 from abipy.core.kpoints import KpointList, Kpoint
-from abipy.core.tensor import Tensor
 from abipy.iotools import ETSF_Reader
 from abipy.abio.inputs import AnaddbInput
 from abipy.dfpt.phonons import PhononDosPlotter, PhononBandsPlotter, InteratomicForceConstants
@@ -1203,6 +1202,7 @@ class DdbFile(TextFile, Has_Structure, NotebookWriter):
         with ETSF_Reader(os.path.join(task.workdir, "anaddb.nc")) as r:
             structure = r.read_structure()
             # TODO Replace with pymatgen tensors
+            from abipy.core.tensor import Tensor
             emacro = Tensor.from_cartesian_tensor(r.read_value("emacro_cart"), structure.lattice, space="r"),
             becs = Becs(r.read_value("becs_cart"), structure, chneut=inp["chneut"], order="f")
 
@@ -1527,7 +1527,7 @@ class Becs(Has_Structure):
         self.values = np.empty((len(structure), 3, 3))
         for i, bec in enumerate(becs_arr):
             mat = becs_arr[i]
-            if order.lower() == "f": mat = mat.T
+            if order.lower() == "f": mat = mat.T.copy()
             self.values[i] = mat
 
     @property
@@ -1549,12 +1549,8 @@ class Becs(Has_Structure):
             app("")
 
         # Add info on the bec sum rule.
-        stream = StringIO()
-        self.check_sumrule(stream=stream)
-        app(stream.getvalue())
-
-        #app("Born effective charge neutrality sum-rule with chneut: %d\n" % self.chneut)
-        #app(str(self.sumrule))
+        app("Born effective charge neutrality sum-rule with chneut: %d\n" % self.chneut)
+        app(str(self.sumrule))
 
         return "\n".join(lines)