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) < [email protected]> 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 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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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 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 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) < [email protected]> 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 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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-- This e-mail and any attachments may contain confidential, copyright and or privileged material, and are for the use of the intended addressee only. If you are not the intended addressee or an authorised recipient of the addressee please notify us of receipt by returning the e-mail and do not use, copy, retain, distribute or disclose the information in or attached to the e-mail. Any opinions expressed within this e-mail are those of the individual and not necessarily of Diamond Light Source Ltd. Diamond Light Source Ltd. cannot guarantee that this e-mail or any attachments are free from viruses and we cannot accept liability for any damage which you may sustain as a result of software viruses which may be transmitted in or with the message. Diamond Light Source Limited (company no. 4375679). Registered in England and Wales with its registered office at Diamond House, Harwell Science and Innovation Campus, Didcot, Oxfordshire, OX11 0DE, United Kingdom

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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 wrote:

I mean how to build the conda package.

On 29 Nov 2022, at 19:10, Billy Poon 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 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 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) < [email protected]> 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 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

_______________________________________________ cctbxbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/cctbxbb

-- This e-mail and any attachments may contain confidential, copyright and or privileged material, and are for the use of the intended addressee only. If you are not the intended addressee or an authorised recipient of the addressee please notify us of receipt by returning the e-mail and do not use, copy, retain, distribute or disclose the information in or attached to the e-mail. Any opinions expressed within this e-mail are those of the individual and not necessarily of Diamond Light Source Ltd. Diamond Light Source Ltd. cannot guarantee that this e-mail or any attachments are free from viruses and we cannot accept liability for any damage which you may sustain as a result of software viruses which may be transmitted in or with the message. Diamond Light Source Limited (company no. 4375679). Registered in England and Wales with its registered office at Diamond House, Harwell Science and Innovation Campus, Didcot, Oxfordshire, OX11 0DE, United Kingdom

_______________________________________________ cctbxbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/cctbxbb

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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 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 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 wrote:

...

I mean how to build the conda package.

On 29 Nov 2022, at 19:10, Billy Poon 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 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 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) < [email protected]> 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 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

_______________________________________________ cctbxbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/cctbxbb

-- This e-mail and any attachments may contain confidential, copyright and or privileged material, and are for the use of the intended addressee only. If you are not the intended addressee or an authorised recipient of the addressee please notify us of receipt by returning the e-mail and do not use, copy, retain, distribute or disclose the information in or attached to the e-mail. Any opinions expressed within this e-mail are those of the individual and not necessarily of Diamond Light Source Ltd. Diamond Light Source Ltd. cannot guarantee that this e-mail or any attachments are free from viruses and we cannot accept liability for any damage which you may sustain as a result of software viruses which may be transmitted in or with the message. Diamond Light Source Limited (company no. 4375679). Registered in England and Wales with its registered office at Diamond House, Harwell Science and Innovation Campus, Didcot, Oxfordshire, OX11 0DE, United Kingdom

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