[ase-users] Major updates to testing: pytest, dockers

[Ask Hjorth Larsen]

Am Fr., 17. Jan. 2020 um 02:55 Uhr schrieb Ask Hjorth Larsen
<asklarsen at gmail.com>:
>
> Am Fr., 17. Jan. 2020 um 02:51 Uhr schrieb Jakob Schiøtz <schiotz at fysik.dtu.dk>:
> >
> >
> >
> >
> > > On 17 Jan 2020, at 06.21, Ask Hjorth Larsen via ase-users <ase-users at listserv.fysik.dtu.dk> wrote:
> > >
> > > Dear all,
> > >
> > > We are porting the ASE test suite to pytest.  Running the tests will
> > > now require pytest >= 3.3.2 and optionally pytest-xdist >= 1.22.1.
> > > They can be installed via pip.
> > >
> >
> > Dear Niflheim users,
> >
> > We will build a module for pytest on Niflheim real soon now, so you do not have to pip-install stuff (which will cause trouble if you switch between different Python modules). Soon you will be able to do
> >
> > module load pytest/foss-2018b-Python-3.6.6
> > or
> > module load pytest/intel-2018b-Python-3.6.6
> >
> > (if you use the recommended 2018b toolchains)
> >
> >
> > Ask: Is the optional pytest-xdist important?  Installing it on Niflheim requires making an extra package, which is not hard but needs to be done.
>
> It's for running the tests in parallel.  To me (or other developers)
> it's important because you want a short feedback loop.  To normal
> users... mostly no.

Well, the thing about pytest is that it embraces the idea of many
small packages.

So installing pytest actually means additionally installing attrs,
pluggy, six, and py.

I would like to make it easier for users to do some basic test ("does
ase work or not") which doesn't need all these things. and hence is
more comfy on a computer.

This requires grouping some essential tests into some other form, and
having a hack to run them.

But most of the test suite is really for development, and we should
structure things so users don't need to think too much about tests
that are mostly for developers.

Best regards
Ask