enhance `PythonPackage` and `PythonBundle` to support updating module footers for click autocompletion for specified binaries by Crivella · Pull Request #4056 · easybuilders/easybuild-easyblocks

Crivella · 2026-02-02T14:15:32Z

Currently, writing the module footers to automatically enable/disable click autocompletion on module load/unload is fairly cumbersome and can add significant chunks of repeated code to many easyconfigs.
See for example:

{tools}[foss/2023a] aiida-quantumespresso v4.6.0, aiida-pseudo v1.5.0, jsonschema v4.22.0, xmlschema v2.5.1 easybuild-easyconfigs#20459

This PR adds a new configuration click_autocomplete_bins option to PythonPackage, to allow passing a list of strings (click script/binaries names) to specify which scripts should have autocompletion enabled.

The module footer required for autocompletion will be added both in the case of isolated PythonPackages or when PythonPackage is used through PythonBundle

NOTE

I am not running BINARY_NAME --help as a sanity check automatically as, even if it is the default for click the normal name can be altered (see https://click.palletsprojects.com/en/stable/documentation/#help-parameter-customization)

The _UPPERCASECOMMAND_COMPLETE=bash_source COMMAND instead should always produce a _UNDERSCORED_LOWERCASE_BINNAME_completion function for the bash completion (since we manually unset this when unloading the module).
This will also catch eventual changes in the behavior of click in the future

…fied binaries

…y generated

Crivella · 2026-02-02T15:51:08Z

Tested with:

…tuple of (name, version, data)

Co-authored-by: Loris Ercole <[email protected]>

Crivella · 2026-02-11T15:16:16Z

Also tested in

{chem}[foss/2023a] AITW-microstructures v1.0.0, AITW-stiffness v1.0.0, AITW-viscosity v1.0.0 easybuild-easyconfigs#25220

Crivella · 2026-02-11T15:44:11Z

re-build some random PythonPackage and PythonBundle ECs to test more.

In particular including IMAS-ParaView-2.1.0-foss-2023b.eb as it is the only one i could find besides the one in easybuilders/easybuild-easyconfigs#25198 that make use of modluatfooter or modtclfooter in a Python package

@boegelbot please test @ jsc-zen3
EB_ARGS="--installpath=/tmp/ebpr-4056 IMAS-ParaView-2.1.0-foss-2023b.eb xarray-2023.9.0-gfbf-2023a.eb VeloxChem-1.0-rc4-foss-2023a.eb hatchling-1.27.0-GCCcore-14.3.0.eb Python-bundle-PyPI-2025.07-GCCcore-14.3.0.eb meson-python-0.18.0-GCCcore-14.3.0.eb matplotlib-3.10.5-gfbf-2025b.eb GitPython-3.1.45-GCCcore-14.3.0.eb SciPy-bundle-2025.07-gfbf-2025b.eb trimesh-4.10.0-gfbf-2025b.eb h5py-3.14.0-foss-2025b.eb"

boegelbot · 2026-02-11T15:53:08Z

@Crivella: Request for testing this PR well received on jsczen3l1.int.jsc-zen3.fz-juelich.de

PR test command 'if [[ develop != 'develop' ]]; then EB_BRANCH=develop ./easybuild_develop.sh 2> /dev/null 1>&2; EB_PREFIX=/home/boegelbot/easybuild/develop source init_env_easybuild_develop.sh; fi; EB_PR=4056 EB_ARGS="--installpath=/tmp/ebpr-4056 IMAS-ParaView-2.1.0-foss-2023b.eb xarray-2023.9.0-gfbf-2023a.eb VeloxChem-1.0-rc4-foss-2023a.eb hatchling-1.27.0-GCCcore-14.3.0.eb Python-bundle-PyPI-2025.07-GCCcore-14.3.0.eb meson-python-0.18.0-GCCcore-14.3.0.eb matplotlib-3.10.5-gfbf-2025b.eb GitPython-3.1.45-GCCcore-14.3.0.eb SciPy-bundle-2025.07-gfbf-2025b.eb trimesh-4.10.0-gfbf-2025b.eb h5py-3.14.0-foss-2025b.eb" EB_CONTAINER= EB_REPO=easybuild-easyblocks EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_4056 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

exit code: 0
output:

Submitted batch job 9628

Test results coming soon (I hope)...

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Message to humans: this is just bookkeeping information for me,
it is of no use to you (unless you think I have a bug, which I don't).

Crivella · 2026-02-11T17:01:11Z

Test report by @Crivella

Overview of tested easyconfigs (in order)

SUCCESS IMAS-ParaView-2.1.0-foss-2023b.eb
SUCCESS xarray-2023.9.0-gfbf-2023a.eb
SUCCESS VeloxChem-1.0-rc4-foss-2023a.eb
SUCCESS hatchling-1.27.0-GCCcore-14.3.0.eb
SUCCESS Python-bundle-PyPI-2025.07-GCCcore-14.3.0.eb
SUCCESS meson-python-0.18.0-GCCcore-14.3.0.eb
SUCCESS GitPython-3.1.45-GCCcore-14.3.0.eb
SUCCESS SciPy-bundle-2025.07-gfbf-2025b.eb
SUCCESS trimesh-4.10.0-gfbf-2025b.eb
SUCCESS h5py-3.14.0-foss-2025b.eb
SUCCESS matplotlib-3.10.5-gfbf-2025b.eb

Build succeeded for 11 out of 11 (total: 1 hour 16 mins 21 secs) (11 easyconfigs in total)
crivella-desktop - Linux Ubuntu 22.04.5 LTS (Jammy Jellyfish), x86_64, 13th Gen Intel(R) Core(TM) i9-13900K (skylake), Python 3.11.14
See https://gist.github.com/Crivella/ede44488cc88ef1463b851959b7a6b96 for a full test report.

NOTE

the custom module footer for IMAS-ParaView -> conflict("GGD-VTK") is still properly present

FULL module show result

crivella@crivella-desktop:~$ ml show IMAS-ParaView/2.1.0-foss-2023b
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
   /tmp/eb_tmpdir-l25G7L8i/modules/all/IMAS-ParaView/2.1.0-foss-2023b.lua:
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
help([[
Description
===========
ParaView plugin to convert GGD structures to VTK


More information
================
 - Homepage: https://github.com/iterorganization/IMAS-ParaView
]])
whatis("Description: ParaView plugin to convert GGD structures to VTK")
whatis("Homepage: https://github.com/iterorganization/IMAS-ParaView")
whatis("URL: https://github.com/iterorganization/IMAS-ParaView")
conflict("IMAS-ParaView")
depends_on("foss/2023b")
depends_on("Python/3.11.5-GCCcore-13.2.0")
depends_on("SciPy-bundle/2023.11-gfbf-2023b")
depends_on("ParaView/5.12.0-foss-2023b")
depends_on("VTK/9.3.0-foss-2023b")
depends_on("IMAS-Python/2.0.0-foss-2023b")
prepend_path("CMAKE_PREFIX_PATH","/tmp/eb_tmpdir-l25G7L8i/software/IMAS-ParaView/2.1.0-foss-2023b")
prepend_path("PATH","/tmp/eb_tmpdir-l25G7L8i/software/IMAS-ParaView/2.1.0-foss-2023b/bin")
prepend_path("PV_PLUGIN_PATH","/tmp/eb_tmpdir-l25G7L8i/software/IMAS-ParaView/2.1.0-foss-2023b/lib/python3.11/site-packages/imas_paraview/plugins")
setenv("EBROOTIMASMINPARAVIEW","/tmp/eb_tmpdir-l25G7L8i/software/IMAS-ParaView/2.1.0-foss-2023b")
setenv("EBVERSIONIMASMINPARAVIEW","2.1.0")
setenv("EBDEVELIMASMINPARAVIEW","/tmp/eb_tmpdir-l25G7L8i/software/IMAS-ParaView/2.1.0-foss-2023b/easybuild/IMAS-ParaView-2.1.0-foss-2023b-easybuild-devel")
prepend_path("PYTHONPATH","/tmp/eb_tmpdir-l25G7L8i/software/IMAS-ParaView/2.1.0-foss-2023b/lib/python3.11/site-packages")
conflict("GGD-VTK")

crivella@crivella-desktop:~$

boegelbot · 2026-02-11T19:34:59Z

Test report by @boegelbot

Overview of tested easyconfigs (in order)

SUCCESS IMAS-ParaView-2.1.0-foss-2023b.eb
SUCCESS xarray-2023.9.0-gfbf-2023a.eb
SUCCESS VeloxChem-1.0-rc4-foss-2023a.eb
SUCCESS hatchling-1.27.0-GCCcore-14.3.0.eb
SUCCESS Python-bundle-PyPI-2025.07-GCCcore-14.3.0.eb
SUCCESS meson-python-0.18.0-GCCcore-14.3.0.eb
SUCCESS GitPython-3.1.45-GCCcore-14.3.0.eb
SUCCESS SciPy-bundle-2025.07-gfbf-2025b.eb
SUCCESS trimesh-4.10.0-gfbf-2025b.eb
SUCCESS h5py-3.14.0-foss-2025b.eb
SUCCESS matplotlib-3.10.5-gfbf-2025b.eb

Build succeeded for 11 out of 11 (total: 3 hours 41 mins 35 secs) (11 easyconfigs in total)
jsczen3c1.int.jsc-zen3.fz-juelich.de - Linux Rocky Linux 9.7, x86_64, AMD EPYC-Milan Processor (zen3), Python 3.9.23
See https://gist.github.com/boegelbot/246d704e72f40ec01a2438132fd45802 for a full test report.

…lock

…block

…fig parameter in PythonPackage easyblock

…ge, that's already done by default

…_module_footer

…honBundle.make_module_footer

boegel · 2026-02-12T11:39:48Z

Test report by @boegel

Overview of tested easyconfigs (in order)

SUCCESS libxml2-2.14.3-GCCcore-14.3.0.eb
SUCCESS matplotlib-3.9.2-gfbf-2024a.eb

Build succeeded for 2 out of 2 (total: 6 mins 6 secs) (2 easyconfigs in total)
node4205.shinx.os - Linux RHEL 9.6, x86_64, AMD EPYC 9654 96-Core Processor (zen4), Python 3.9.21
See https://gist.github.com/boegel/5b7b848bbcb8b39bd67d9e785248107e for a full test report.

boegel

lgtm

Automatically write module footers for click autocompletion for speci…

e908d33

…fied binaries

Crivella added the enhancement label Feb 2, 2026

Crivella added 2 commits February 2, 2026 15:24

Add sanity-check to check that the completion script is being properl…

008fc81

…y generated

Remove unused

57597bc

Crivella force-pushed the feature-click_autocomplete branch from bbd5fef to 57597bc Compare February 2, 2026 14:25

Fix indent for lint

5046076

Crivella force-pushed the feature-click_autocomplete branch from 4447313 to 5046076 Compare February 2, 2026 14:26

Crivella mentioned this pull request Feb 2, 2026

use click_autocomplete_bins in aiida-core easyconfigs easybuilders/easybuild-easyconfigs#25198

Merged

Crivella marked this pull request as ready for review February 2, 2026 15:07

Crivella mentioned this pull request Feb 2, 2026

{tools}[foss/2023a] aiida-quantumespresso v4.6.0, aiida-pseudo v1.5.0, jsonschema v4.22.0, xmlschema v2.5.1 easybuilders/easybuild-easyconfigs#20459

Merged

Allow for case where extension might be a single string instead of a …

ae1ec7f

…tuple of (name, version, data)

lorisercole reviewed Feb 4, 2026

View reviewed changes

Comment thread easybuild/easyblocks/generic/pythonpackage.py Outdated

Apply suggestion from @lorisercole

586f942

Co-authored-by: Loris Ercole <[email protected]>

Crivella mentioned this pull request Feb 5, 2026

{chem}[foss/2023a] AITW-microstructures v1.0.0, AITW-stiffness v1.0.0, AITW-viscosity v1.0.0 easybuilders/easybuild-easyconfigs#25220

Merged

boegel added this to the next release (5.2.1) milestone Feb 11, 2026

boegel requested changes Feb 12, 2026

View reviewed changes

Comment thread easybuild/easyblocks/generic/pythonbundle.py

Comment thread easybuild/easyblocks/generic/pythonpackage.py Outdated

Comment thread easybuild/easyblocks/generic/pythonpackage.py Outdated

Comment thread easybuild/easyblocks/generic/pythonpackage.py

boegel added 4 commits February 12, 2026 11:07

add docstring for customised make_module_footer in PythonBundle easyb…

c88cd09

…lock

add docstring for customised make_module_footer in PythonPackage easy…

42d9be5

…block

use safer way to get value for click_autocomplete_bins custom easycon…

0b1bdbe

…fig parameter in PythonPackage easyblock

don't mention default value for click_autocomplete_bins in help messa…

c61992a

…ge, that's already done by default

boegel reviewed Feb 12, 2026

View reviewed changes

Comment thread easybuild/easyblocks/generic/pythonpackage.py Outdated

make sure that self.click_autocomplete_bins is a list, not None

b496211

boegel reviewed Feb 12, 2026

View reviewed changes

Comment thread easybuild/easyblocks/generic/pythonbundle.py Outdated

make sure that click_autocomplete_bins is a list in PythonBundle.make…

ff1ae85

…_module_footer

be more careful when collecting click_autocomplete_bins values in Pyt…

77aa4c7

…honBundle.make_module_footer

boegel approved these changes Feb 12, 2026

View reviewed changes

boegel merged commit 0f75bae into easybuilders:develop Feb 12, 2026
22 checks passed

boegel mentioned this pull request Feb 12, 2026

{2023.06}[2023a] AITW-stiffness v1.0.0, AITW-microstructures v1.0.0, AITW-viscosity v1.0.0 EESSI/software-layer#1379

Merged

Crivella deleted the feature-click_autocomplete branch February 12, 2026 11:44

boegel changed the title ~~Automatically write module footers for click autocompletion for specified binaries~~ enhance PythonPackage and PythonBundle to support updating module footers for click autocompletion for specified binaries Feb 19, 2026

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enhance `PythonPackage` and `PythonBundle` to support updating module footers for click autocompletion for specified binaries#4056

enhance `PythonPackage` and `PythonBundle` to support updating module footers for click autocompletion for specified binaries#4056
boegel merged 13 commits intoeasybuilders:developfrom
Crivella:feature-click_autocomplete

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Overview of tested easyconfigs (in order)

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