Bug#945985: [Debichem-devel] problem with python3-rdkit in Debian Sid

2019-12-04 Thread Francois Berenger
On 12/3/19 5:25 PM, mer...@debian.org wrote:
> Hi Francois,
> 
> On 2019-12-03 02:43, Francois Berenger wrote:
>> Where can I follow this bug?
> 
> I have filed a bug report [1] for this issue. By the way, could you try
> installing 'libschroedinger-maeparser1' package and rerunning the
> failing code?
> 
> [1] https://bugs.debian.org/945985
> 
>> Also, how can I get and test the package in the NEW queue?
> 
> You can clone the packaging repository [2], switch to
> 'debian/201909.1-1' tag and build the binary packages with 'gbp
> buildpackage -uc -us --git-ignore-branch', for example.
> 
> [2] https://tracker.debian.org/pkg/rdkit

Hello,

Thanks for your feedback.

The correct git URL that can be cloned looks like this one:

[2] https://salsa.debian.org/debichem-team/rdkit.git

I had to install the git-buildpackage program in order to run gbp.

I am unable to run your proposed command:

---
gbp buildpackage -uc -us --git-ignore-branch
gbp:error: Currently not on a branch
---

I did checkout 'debian/201909.1-1'. But this is a tag...

Can you give me the exact sequence of commands that need to be run after
a fresh checkout in order to run gbp?

Thanks,
F.



Bug#945985: [Debichem-devel] problem with python3-rdkit in Debian Sid

2019-12-04 Thread merkys
control: retitle -1 rdkit: rebuild with libschroedinger-maeparser1/1.2.2-1
control: severity -1 important
control: owner -1 !

Hi,

I confirm that the issue occurs on my machine too. It must be due to the changed
library name of libschroedinger-maeparser1. A rebuild of the package should
solve the issue. I will ask for binNMU.

Best,
Andrius

On 2019-12-04 03:18, Francois Berenger wrote:
> This package is already installed on the system...



Bug#945985: [Debichem-devel] problem with python3-rdkit in Debian Sid

2019-12-03 Thread Francois Berenger
On 12/3/19 5:25 PM, mer...@debian.org wrote:
> Hi Francois,
> 
> On 2019-12-03 02:43, Francois Berenger wrote:
>> Where can I follow this bug?
> 
> I have filed a bug report [1] for this issue. By the way, could you try
> installing 'libschroedinger-maeparser1' package and rerunning the
> failing code?

This package is already installed on the system...

> [1] https://bugs.debian.org/945985
> 
>> Also, how can I get and test the package in the NEW queue?
> 
> You can clone the packaging repository [2], switch to
> 'debian/201909.1-1' tag and build the binary packages with 'gbp
> buildpackage -uc -us --git-ignore-branch', for example.
> 
> [2] https://tracker.debian.org/pkg/rdkit
> 
> Best wishes,
> Andrius
> 



Bug#945985: [Debichem-devel] problem with python3-rdkit in Debian Sid

2019-12-03 Thread merkys
Hi Francois,

On 2019-12-03 02:43, Francois Berenger wrote:
> Where can I follow this bug?

I have filed a bug report [1] for this issue. By the way, could you try
installing 'libschroedinger-maeparser1' package and rerunning the
failing code?

[1] https://bugs.debian.org/945985

> Also, how can I get and test the package in the NEW queue?

You can clone the packaging repository [2], switch to
'debian/201909.1-1' tag and build the binary packages with 'gbp
buildpackage -uc -us --git-ignore-branch', for example.

[2] https://tracker.debian.org/pkg/rdkit

Best wishes,
Andrius



Bug#945985: [Debichem-devel] problem with python3-rdkit in Debian Sid

2019-12-02 Thread merkys
Source: rdkit
Version: 201903.1-2

Hi Francois,

The python3-rdkit seems missing a dependency on
libschroedinger-maeparser1. The new version of rdkit is waiting in the
NEW queue, thus I open a bug report to track this problem.

On 2019-11-29 05:42, Francois Berenger wrote:
> This small pyhon3 code fragment does not work:
>
> ---
> import rdkit
> from rdkit import Chem
> ---
>
> Log file, test script and all installed packages on the system are attached.

test_rdkit.log:

Traceback (most recent call last):
  File "./test_rdkit.py", line 4, in 
    from rdkit import Chem
  File "/usr/lib/python3/dist-packages/rdkit/Chem/__init__.py", line 23,
in 
    from rdkit.Chem.rdmolfiles import *
ImportError: libmaeparser.so.1.2: cannot open shared object file: No
such file or directory

Thanks for the report,
Andrius