mirror of https://github.com/abinit/abipy.git
Improve coverage
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@ -100,7 +100,8 @@ class Robot(NotebookWriter):
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items = []
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for top in list_strings(dirpaths):
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items.extend(cls._open_files_in_dir(top, walk))
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if not abspath: new.trim_paths(start=os.path.getcwd())
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new = cls(*items)
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if not abspath: new.trim_paths(start=os.getcwd())
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return new
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@classmethod
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@ -406,7 +407,7 @@ class Robot(NotebookWriter):
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def __getitem__(self, key):
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# self[key]
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return self.ncfiles.__getitem__(key)
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return self._ncfiles.__getitem__(key)
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def __enter__(self):
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return self
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@ -96,7 +96,7 @@ class HistFileTest(AbipyTest):
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if self.has_matplotlib():
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for what in robot.what_list:
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assert robot.gridplot(what=what, show=False)
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assert robot.gridplot(show=False)
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assert robot.combiplot(show=False)
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if self.has_nbformat():
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robot.write_notebook(nbpath=self.get_tmpname(text=True))
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@ -190,3 +190,18 @@ class GstRobotTest(AbipyTest):
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robot.write_notebook(nbpath=self.get_tmpname(text=True))
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robot.close()
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# Test other class methods
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filepath = abidata.ref_file("si_scf_GSR.nc")
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robot = abilab.GsrRobot.from_dirs(os.path.dirname(filepath), abspath=True)
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assert len(robot) == 2
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assert robot[filepath].filepath == filepath
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# Test from_dir_glob
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pattern = "%s/*/si_ebands/" % abidata.dirpath
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same_robot = abilab.GsrRobot.from_dir_glob(pattern, abspath=True)
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assert len(same_robot) == 2
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assert set(robot.labels) == set(same_robot.labels)
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robot.close()
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same_robot.close()
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@ -1,6 +1,16 @@
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TODO LIST:
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TODO list:
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* DDK.nc
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## High priority
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* Use angdeg instead of rprimd in structure_to_abivars if hex or rhomboedral lattice.
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* Check PJDOS in abinit@gitlab
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* Add mpirun_args see e.g nic4 and mpirun --bind-to None DONE
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* Re-implement max_njobs in the queque using a counter local to the Launcher. DONE
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## Medium priority
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* Finalize interface with phononwebsite
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@ -8,14 +18,12 @@ TODO LIST:
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* Fix bug with SCGW and SKW interpolation.
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* Check PJDOS in abinit@gitlab
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* Use angdeg instead of rprimd in structure_to_abivars if hex or rhomboedral lattice.
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* Add mpirun_args see e.g nic4 and mpirun --bind-to None
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* Add integration test for dilatmx error handler
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## Low priority
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* DDK.nc
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* Fix issue with DOJO_REPORT and PAW XML files.
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* plot_networkx does not work with flows containing callbacks e.g. run_qptdm_flow
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@ -27,8 +35,6 @@ TODO LIST:
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* Add possibility of specifying the max number of CPUs that can be used
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for a flow at the level of the scheduler.
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* Re-implement max_njobs in the queque using a counter local to the Launcher.
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* Fix problem with AbiniEvent format, src_file and scr_line (see src/67_common/scprqt.F90)
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Introduce an integer flag (msg_level) to be passed to msg_hndl
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