[cctbxbb] Python 3.12 release schedule

[Billy Poon]

Hi Luc,

Thanks! Which package are you using? cctbx is cctbx-base plus some
additional dependencies (mainly, wxPython, pyside2, and ipython). If you do
not need those dependencies (or want to manually specify extra
dependencies), then cctbx-base should be the one to use.

I guess we can strip out some more dependencies for a cctbx-light. The
package recipes are in cctbx-base-feedstock, and I can add a cctbx-light
package as an additional output that has fewer dependencies. The cctbx
package is an output in the meta.yaml file that adds extra dependencies to
cctbx-base. So things like reportlab and biopython or even matplotlib could
be removed for cctbx-light.

Or do you mean to remove certain modules from cctbx-base for cctbx-light?
That would be possible, but I could probably do it in the second half of
this year. I'm already building all of Phenix as a giant conda package and
I've been splitting parts of it off into smaller packages to help with
making the builds more manageable on Azure (e.g. chem_data is 7 GB and does
not need to be in every platform package since it's platform independent).

--
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 Mon, Feb 26, 2024 at 1:15 AM Luc Bourhis <luc_j_bourhis at mac.com> wrote:

> I have a question about the conda packages actually: I found out that
> cctbx-base is build with `—builder=cctbx`, by reading the recipe on the
> subrepository cctbx-base-feedstock on the conda-forge repo. But I can’t
> find a subrepo for the conda package cctbx.
> What is the exact difference between cctbx-base and cctbx?
>
> On 26 Feb 2024, at 09:42, Luc Bourhis <luc_j_bourhis at mac.com> wrote:
>
> Hi Billy,
>
> brilliant. We will try the cctbx-nightly in due course. Actually, it would
> be useful to us to have a minimal cctbx conda package. The equivalent of
> the build option cctbx-light would be perfect. It is all we need and it
> would minimise the risk of conflicts. Conda/mamba is very good but not
> invulnerable as our recent problems at Bruker shows. Eventually, this is
> not utterly critical because both the Anaconda people and you guys in
> charge of cctbx are amazing. So things get sorted out quickly enough. But
> still, I don’t like Damocles swords!
>
> Best wishes,
>
> Luc
>
>
> On 24 Feb 2024, at 14:34, Billy Poon <bkpoon at lbl.gov> wrote:
>
> Hi Luc,
>
> There are currently nightly conda packages for Python 3.12 on the
> cctbx-nightly channel (https://anaconda.org/cctbx-nightly/). The nightly
> tests are also run on that version (
> https://github.com/cctbx/cctbx_project?tab=readme-ov-file#nightly-checks-of-current-release-and-nightly-builds-except-for-apple-silicon).
> There is a holdup to the migration on conda-forge because the pyside2
> package is not available for Python 3.12. We will move that dependency to
> pyside6 (probably in a month or so) so that the migration can proceed. I
> removed the GUI packages (wxpython and pyside2, wxpython Python 3.12
> support is available now) from the cctbx-nightly cctbx package so that I
> could build the Python 3.12 packages. Once the conda-forge package is
> migrated, I can add back the GUI dependencies to our nightly builds.
>
> If you test the nightly packages, let me know if you find any issues on
> Python 3.12. 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 Wed, Feb 21, 2024 at 12:35 AM Luc Bourhis <luc_j_bourhis at mac.com>
> wrote:
>
>> Hi,
>>
>> I see in the commit that you guys are working on supporting Python 3.12.
>> With the latest version of Python 3.11 on Anaconda, we have a compatibility
>> issue between Qt that we use and ICU 70.1 that cctbx requires. The problem
>> is solved by moving to Python 3.12, hence my question: when can we hope to
>> see a release with Python 3.12? No pressure! Just trying to plan ahead.
>>
>> Best wishes,
>>
>> Luc
>>
>>
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>>
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