Re: [Spglib-users] test_get_symmetry_dataset & test_refine_cell failure

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

I guess you didn't install your git version of spglib. You probably
use other spglib version in your system to run the test.

Togo

On Thu, Jul 30, 2020 at 9:38 PM fatemeh haddadi
<fat...@gm...> wrote:
>
> I ran the test using:
> Python test_spglib.py
>
> So from "git log" I get:
>
> commit 612b0475d5a745eeb9b238655e03e72d9c5710b7 (HEAD -> develop, origin/develop, origin/HEAD)
> Merge: a493d02 a7a2cce
> Author: Atsushi Togo <atz...@gm...>
> Date:   Sun Jul 19 20:57:48 2020 +0900
>
>     Merge branch 'symopts-dataset' into develop
>
> commit a7a2ccedcdb382c6634d276a27a04e6b69c7cc74
> Author: Atsushi Togo <atz...@gm...>
> Date:   Sun Jul 19 20:55:02 2020 +0900
>
>     Updated symmetry_operations in spg_database.c
>
>     Sets of symmetry operations in Hall numbers 212, 213, 214 started with (E|t) of non-zero t. Now they start with (E|0). This was made by subtracting t from all symmetry operations.
>
> commit a493d0298cbc52ee388dd82861bb0a3d00972a4b
> Merge: 6751d37 49b50f5
> Author: Atsushi Togo <atz...@gm...>
> Date:   Sat Jul 18 21:48:50 2020 +0900
>
>     Merge branch 'develop' of github.com:spglib/spglib into develop
>
>     Merge branch 'symopts-dataset' into develop
>
>
> Fatemeh
>
> On Thu, Jul 30, 2020 at 2:03 PM Atsushi Togo <atz...@gm...> wrote:
>>
>> 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
>>
>>
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-- 
Atsushi Togo