[cctbxbb] Python 3.11

Thu Dec 15 04:22:49 PST 2022

Hi Luc,

The Python 3.11 builds of the conda-forge package are now available.  The
nightly tests will also check the Python 3.11 packages and I updated the
cctbx_project README.md to have links to those tests. Let me know if you
find any issues migrating.

--
Billy K. Poon
Research Scientist, Molecular Biophysics and Integrated Bioimaging
Lawrence Berkeley National Laboratory
1 Cyclotron Road, M/S 33R0345
Berkeley, CA 94720
Fax: (510) 486-5909
Web: https://phenix-online.org

On Wed, Nov 30, 2022 at 10:47 AM Luc Bourhis <luc_j_bourhis at mac.com> wrote:

> Hi Billy,
>
> thanks, very useful. I will give it a go then.
>
> Best wishes,
>
> Luc
>
>
> On 29 Nov 2022, at 19:50, Billy Poon <bkpoon at lbl.gov> wrote:
>
> The scripts are in the feedstock repositories.
>
> The official conda-forge repository is here.
> https://github.com/conda-forge/cctbx-base-feedstock
>
> The nightly builds are here, but it is essentially the same as the
> conda-forge one.
> https://github.com/cctbx/nightly-feedstock
>
> The scripts for building are in the scripts/build.sh (linux and macOS) and
> scripts/bld.bat (Windows). It's basically using bootstrap for building and
> the installation into $PREFIX is done with a separate script
> (libtbx/auto_build/conda_build/install_build.py).
>
> The conda-forge infrastructure sets up the Python environments and
> packaging.
>
> --
> Billy K. Poon
> Research Scientist, Molecular Biophysics and Integrated Bioimaging
> Lawrence Berkeley National Laboratory
> 1 Cyclotron Road, M/S 33R0345
> Berkeley, CA 94720
> Fax: (510) 486-5909
> Web: https://phenix-online.org
>
>
> On Tue, Nov 29, 2022 at 10:43 AM Luc Bourhis <luc_j_bourhis at mac.com>
> wrote:
>
>> I mean how to build the conda package.
>>
>> On 29 Nov 2022, at 19:10, Billy Poon <bkpoon at lbl.gov> wrote:
>>
>> Do you mean to build the conda package or how to build with Python 3.11?
>> I am in the process of adding Python 3.11 environments to the cctbx CI so
>> that each commit will also be tested on Python 3.11. Once you have a Python
>> 3.11 environment, the normal bootstrap.py process can be used for building.
>>
>> --
>> Billy K. Poon
>> Research Scientist, Molecular Biophysics and Integrated Bioimaging
>> Lawrence Berkeley National Laboratory
>> 1 Cyclotron Road, M/S 33R0345
>> Berkeley, CA 94720
>> Fax: (510) 486-5909
>> Web: https://phenix-online.org
>>
>>
>> On Tue, Nov 29, 2022 at 10:04 AM Luc Bourhis <luc_j_bourhis at mac.com>
>> wrote:
>>
>>> Hi Billy, hi Graeme,
>>>
>>> thanks. Great news! I will start testing. We use the conda distro at
>>> Bruker: are the steps to build it documented somewhere? It would be easier
>>> that way but no big deal, I can put the cctbx by hand in our environment
>>> for testing.
>>>
>>> Best wishes,
>>>
>>> Luc
>>>
>>>
>>> On 29 Nov 2022, at 18:22, Billy Poon <bkpoon at lbl.gov> wrote:
>>>
>>> Hi Luc,
>>>
>>> There are nightly Python 3.11 builds on the cctbx-nightly channel. They
>>> were started in early November. You can test it in a new environment with
>>>
>>> conda create -n my_env -c cctbx-nightly -c conda-forge python=3.11
>>> cctbx-base
>>>
>>> All the tests that are run nightly should pass (last checked on Nov 19).
>>> I just started a new test here (
>>> https://dev.azure.com/cctbx-release/cctbx/_build/results?buildId=5107&view=results).
>>> I will update the generally nightly tests once the Python 3.11 migrator
>>> hits the conda-forge package so that both the official conda-forge package
>>> and the nightly builds are tested nightly.
>>>
>>> The smtbx tests are passing, but let me know if you find
>>> something wrong. Thanks!
>>>
>>> --
>>> Billy K. Poon
>>> Research Scientist, Molecular Biophysics and Integrated Bioimaging
>>> Lawrence Berkeley National Laboratory
>>> 1 Cyclotron Road, M/S 33R0345
>>> Berkeley, CA 94720
>>> Fax: (510) 486-5909
>>> Web: https://phenix-online.org
>>>
>>>
>>> On Tue, Nov 29, 2022 at 9:00 AM Winter, Graeme (DLSLtd,RAL,LSCI) <
>>> Graeme.Winter at diamond.ac.uk> wrote:
>>>
>>>> I think in DIALS land it is on our to-do but not this side of the new
>>>> year
>>>>
>>>> I can’t remember if we have test builds going...
>>>>
>>>> All the best Graeme
>>>>
>>>> > On 29 Nov 2022, at 13:59, Luc Bourhis <luc_j_bourhis at mac.com> wrote:
>>>> >
>>>> > Hi,
>>>> >
>>>> > may I enquire about the time table for Python 3.11 compatibility? We
>>>> are planning to move to it as soon as possible at Bruker, hence my question.
>>>> >
>>>> > Best wishes,
>>>> >
>>>> > Luc Bourhis
>>>> >
>>>> >
>>>> >
>>>> > _______________________________________________
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>>>> > http://phenix-online.org/mailman/listinfo/cctbxbb
>>>>
>>>>
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