Re: [Spglib-users] test_get_symmetry_dataset & test_refine_cell failure

[Atsushi T. <atz...@gm...>]

The test runs for the python spglib. It's independent from spglib C-API.
How did you run the test?
If you git clone, can you tell me the following information?

% git log

to see the commit hash something below.

commit eec99c1296f9799f7ab62d4e4520d05b04663d3a
Merge: 38ee5b6 2e050b3
Author: Atsushi Togo <atz...@gm...>
Date:   Wed Apr 29 00:22:57 2020 +0900

    Merge branch 'develop' into rc

Togo

On Thu, Jul 30, 2020 at 6:54 PM fatemeh haddadi
<fat...@gm...> wrote:
>
> 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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>
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--
Atsushi Togo