[cctbxbb] Python 3.11

[Billy Poon]

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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>>>
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