[Debichem-devel] updated python-ase / gpaw

[Andreas Tille]

Hi Graham,

On Fri, Jul 24, 2015 at 05:53:20PM +0200, Graham Inggs wrote:
> 
> On 24/07/2015 16:53, Andreas Tille wrote:
> >I noticed that ase also should work with Python 3 and thus added a
> >Python 3 package.
> 
> OK.  I had read that Python3 wasn't supported yet [1]:

I simply did:

$ grep 3\.4 * 2>/dev/null
PKG-INFO:Classifier: Programming Language :: Python :: 3.4
setup.py:          'Programming Language :: Python :: 3.4',

which seems to be a sign for 3.4 support.
 
> The following packages are required for basic ASE functionality:
> 
>     1. Python2 version 2.6 or newer. Python3 is not supported yet.
>     2. NumPy.
> 
> >   Unfortunately 1 of 142 fails.  Would you mind having a look into this?
> 
> Weird, I tried building and it passed all the tests (although that was with
> Python 3.4, not 3.5 as is in unstable).

I was building in an unstable chroot which obviously used Python 3.4
(not 3.5).  The log said:

...
tasks/dcdft.py (ScriptTestCase) ... skipped ok
tasks/gbrv.py (ScriptTestCase) ... ERROR
tasks/htb.py (ScriptTestCase) ... ok
tasks/mmbjmp.py (ScriptTestCase) ... ok
turbomole/turbomole_H2.py (ScriptTestCase) ... skipped ok
turbomole/turbomole_h3o2m.py (ScriptTestCase) ... skipped ok
vasp/vasp_Al_volrelax.py (ScriptTestCase) ... skipped ok
vasp/vasp_co.py (ScriptTestCase) ... skipped ok
COCu111.py (ScriptTestCase) ... Test suite failed
ok

======================================================================
ERROR: tasks/gbrv.py (ScriptTestCase)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/tmp/buildd/python-ase-3.9.1.4567/ase/test/__init__.py", line 50, in testfile
    exec(compile(fd.read(), self.filename, 'exec'),
  File "/usr/lib/python3.4/encodings/ascii.py", line 26, in decode
    return codecs.ascii_decode(input, self.errors)[0]
UnicodeDecodeError: 'ascii' codec can't decode byte 0xe2 in position 488: ordinal not in range(128)

----------------------------------------------------------------------
Ran 142 tests in 46.282s

FAILED (errors=1)
E: pybuild pybuild:256: test: plugin custom failed with: exit code=1: python3.4 /tmp/buildd/python-ase-3.9.1.4567/setup.py test
dh_auto_test: pybuild --test -i python{version} -p 3.4 --dir . returned exit code 13

...

So if you build in an unstable chroot you do not get this error?

> I did get hundreds of Lintian warnings though, e.g.
> W: python-ase source: binaries-have-file-conflict python-ase python3-ase
> usr/bin/ase-build

Well, the build at my side did not finalise so I can not look into the
binary but it seems that the package does install not only binaries but
also has some executables in /usr/bin.  Setup.py simply installs these
for each run and so you get the files in /usr/bin in both packages which
will lead to a conflict between both packages.

I had a similar situation in DendroPy
   git://anonscm.debian.org/debian-med/python-dendropy.git
and solved this by a separate package delivering the tools in /usr/bin.
I decided for the Python 3 version of the tool.

> Is this normal for packages that produce Python2 and Python3 binaries?

This is normal for all packages installing the same file name.
 
> What about the recommended packages; python-gtk2, python-matplotlib and
> python-scipy?
> Should those become python3-matplotlib and python3-scipy?

Sure.  I missed this piece.

> It seems that
> there is no python3-gtk2.

I'm not sure.  May be you clarify this with
debian-python at lists.debian.org.
 
> I must admit I am not comfortable with this change you have made.

If you want to push on a quick update I'm fine with reverting this
change.  However, at some point in time you will need to do it anyway.
Its youe choice when you want to do this.
 
Kind regards

        Andreas. 

-- 
http://fam-tille.de