Arch Migrator

[regro-cf-autotick-bot]

This feedstock is being rebuilt as part of the aarch64/ppc64le migration.

Feel free to merge the PR if CI is all green, but please don't close it
without reaching out the the ARM migrators first at @conda-forge/arm-arch.

If this PR was opened in error or needs to be updated please add the bot-rerun label to this PR. The bot will close this PR and schedule another one. If you do not have permissions to add this label, you can use the phrase @conda-forge-admin, please rerun bot in a PR comment to have the conda-forge-admin add it for you.

_{This PR was created by the regro-cf-autotick-bot. The regro-cf-autotick-bot is a service to automatically track the dependency graph, migrate packages, and propose package version updates for conda-forge. Feel free to drop us a line if there are any issues! This PR was generated by https://github.com/regro/cf-scripts/actions/runs/11150541045 - please use this URL for debugging.}

closes #100

[conda-forge-admin]

Hi! This is the friendly automated conda-forge-linting service.

I just wanted to let you know that I linted all conda-recipes in your PR (recipe/meta.yaml) and found it was in an excellent condition.

[loriab]

@conda-forge-admin, please rerender

[loriab]

@conda-forge-admin, please rerender

[conda-forge-admin]

Hi! This is the friendly automated conda-forge-webservice.

I tried to rerender for you, but it looks like there was nothing to do.

_{This message was generated by GitHub actions workflow run https://github.com/conda-forge/conda-forge-webservices/actions/runs/11152441221.}

[loriab]

@conda-forge-admin, please rerender

[conda-forge-admin]

Hi! This is the friendly automated conda-forge-webservice.

I tried to rerender for you, but it looks like there was nothing to do.

_{This message was generated by GitHub actions workflow run https://github.com/conda-forge/conda-forge-webservices/actions/runs/11152654147.}

[loriab]

@conda-forge-admin, please rerender

[loriab]

@conda-forge-admin, please rerender

[loriab]

Hi @conda-forge/rdkit (hopefully that's the right way to ping maintainers), I think this is ready for consideration.

• It gets the basic packages building for aarch64 (previously in conda-forge.yaml but disabled in meta.yaml) and ppc64le building, all on azure with cross-compilation
• It updates/fixes some python/numpy detection syntax, particularly for the new architectures with numpy v2
• My only connection with rdkit is through MolSSI's QCEngine interface, so I haven't run any additional offline tests.
• One thing that's iffy is using the arm64 "pg_config" with the new architectures, but the paths therein looked generic for unix.
• One thing this doesn't do is build the rdkit-postgresql subpackage for aarch64 and ppc64le. The error, if anyone wants to tackle it, is below. I don't know enough to venture if it's b/c of cross-compiling or mixing postgres versions or anything. I think the subpackage could be deferred until needed.

creating directory test_db ... ok
creating subdirectories ... ok
selecting dynamic shared memory implementation ... posix
selecting default max_connections ... 100
selecting default shared_buffers ... 128MB
selecting default time zone ... UTC
creating configuration files ... ok
running bootstrap script ... ok
2024-10-03 08:50:29.309 UTC [11951] FATAL:  could not load library "/home/conda/feedstock_root/build_artifacts/rdkit-meta_1727942384333/_test_env_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_place/lib/dict_snowball.so": /home/conda/feedstock_root/build_artifacts/rdkit-meta_1727942384333/_test_env_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_place/lib/dict_snowball.so: undefined symbol: palloc0
2024-10-03 08:50:29.309 UTC [11951] STATEMENT:  CREATE FUNCTION dsnowball_init(INTERNAL)
	    RETURNS INTERNAL AS '$libdir/dict_snowball', 'dsnowball_init'
	LANGUAGE C STRICT;
	
child process exited with exit code 1
initdb: removing data directory "test_db"
WARNING: Tests failed for rdkit-postgresql-2024.09.1-hc016ef4_1.conda - moving package to /home/conda/feedstock_root/build_artifacts/broken

[skearnes]

Thanks @loriab! The rdkit-postgresql support for aarch64 is important to keep working. I'll take a look at the changes and see if I can spot the issue, but sometimes these can be quite tricky and we have to get @jaimergp involved :)

[skearnes]

Thanks @loriab! The rdkit-postgresql support for aarch64 is important to keep working. I'll take a look at the changes and see if I can spot the issue, but sometimes these can be quite tricky and we have to get @jaimergp involved :)

Actually I take that back; we need to maintain osx-arm64 but not linux-aarch64

[loriab]

Thanks for the reviews. All of @hmaarrfk's suggestions are building now.

Thanks @loriab! The rdkit-postgresql support for aarch64 is important to keep working. I'll take a look at the changes and see if I can spot the issue, but sometimes these can be quite tricky and we have to get @jaimergp involved :)

Actually I take that back; we need to maintain osx-arm64 but not linux-aarch64

Right, @skearnes, nothing is broken by this PR (insofar as recipe testing will reveal) -- only new packages are added. aarch64 was in a mixed enabled/disabled state before (net disabled).

[skearnes]

Thanks! I'll let @greglandrum merge.

[greglandrum]

LGTM

[greglandrum]

Thanks @loriab !

[loriab]

Looks like they all built correctly. Thanks for the merge @greglandrum !