Re: [Spglib-users] test_get_symmetry_dataset & test_refine_cell failure

[fatemeh h. <fat...@gm...>]

Sure.
I have ubuntu 18.04.
I used the procedure below:
https://spglib.github.io/spglib/install.html

Downloaded it using git clone and compiled it using cmake.
In the last line I used:
make DESTDIR=. install

Maybe that is the problem because I don't see any lib directory.

Fatemeh

On Thu, Jul 30, 2020 at 11:36 AM Atsushi Togo <atz...@gm...> wrote:

> I can't reproduce. Can you give more details?
> Such as your computer system, how you installed it, ...
>
> Togo
>
> On Thu, Jul 30, 2020 at 4:32 PM fatemeh haddadi
> <fat...@gm...> wrote:
> >
> > Hi,
> >
> > It's 1.15.1.
> >
> > Fatemeh
> >
> > On Thu, Jul 30, 2020 at 2:49 AM Atsushi Togo <atz...@gm...> wrote:
> >>
> >> Hi,
> >>
> >> Thanks for your report.
> >> Could you tell which version do you use?
> >>
> >> Togo
> >>
> >> On Thu, Jul 30, 2020 at 1:06 AM fatemeh haddadi
> >> <fat...@gm...> wrote:
> >> >
> >> > Dear all,
> >> >
> >> > I am new to python and spglib. I'm facing a problem and wonder if
> anyone can help.
> >> > I just installed spglib and tested test_spglib.py at python/test/.
> Here is the output:
> >> >
> >> > test_find_primitive (__main__.TestSpglib) ... ok
> >> > test_get_symmetry_dataset (__main__.TestSpglib) ... FAIL
> >> > test_refine_cell (__main__.TestSpglib) ... FAIL
> >> > test_standardize_cell_and_pointgroup (__main__.TestSpglib) ... ok
> >> > test_standardize_cell_from_primitive (__main__.TestSpglib) ... ok
> >> > test_standardize_cell_to_primitive (__main__.TestSpglib) ... ok
> >> >
> >> > ======================================================================
> >> > FAIL: test_get_symmetry_dataset (__main__.TestSpglib)
> >> > ----------------------------------------------------------------------
> >> > Traceback (most recent call last):
> >> >   File "test_spglib.py", line 105, in test_get_symmetry_dataset
> >> >     self.assertEqual(w, w_ref, msg=("%s" % fname))
> >> > AssertionError:
> /home/fhaddadi/spglib/python/test/data/distorted/POSCAR-11
> >> >
> >> > ======================================================================
> >> > FAIL: test_refine_cell (__main__.TestSpglib)
> >> > ----------------------------------------------------------------------
> >> > Traceback (most recent call last):
> >> >   File "test_spglib.py", line 184, in test_refine_cell
> >> >     self.assertEqual(dataset_1['number'], spgnum, msg=("%s" % fname))
> >> > AssertionError:
> /home/fhaddadi/spglib/python/test/data/distorted/POSCAR-11
> >> >
> >> > ----------------------------------------------------------------------
> >> > Ran 6 tests in 16.439s
> >> >
> >> > FAILED (failures=2)
> >> >
> >> > There are two failures as you see.
> >> > Can anyone tell me what the problem is?
> >> > Thank you in advance.
> >> >
> >> >
> >> >
> >> > Fatemeh Haddadi
> >> > Doctoral assistant
> >> > Theory and Simulation of Materials
> >> > École Polytechnique Fédérale de Lausanne
> >> >
> >> >
> >> > _______________________________________________
> >> > Spglib-users mailing list
> >> > Spg...@li...
> >> > https://lists.sourceforge.net/lists/listinfo/spglib-users
> >>
> >>
> >>
> >> --
> >> Atsushi Togo
>
>
>
> --
> Atsushi Togo
>
>
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