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Run invariance tests on alpine / musl #13

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JanCBrammer opened this issue Mar 20, 2024 · 3 comments
Open

Run invariance tests on alpine / musl #13

JanCBrammer opened this issue Mar 20, 2024 · 3 comments

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@JanCBrammer
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We're not running invariance tests on alpine due to problems with (pip) installing RDKit (

# FIXME: We don't run invariance test on alpine yet because of difficulties with RDKit installation.
).
Either don't run invariance tests on alpine (decision) or find way to install RDKit (preferably pre-built due to long build times).

@giallu
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giallu commented Aug 16, 2024

Out of curiosity, why do you want tests to run on that specific image?

@flange-ipb
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I'm kind of responsible for introducing alpine in the CI via #6.

Alpine itself is a popular Docker base image and uses musl as C standard library. I guess Busybox would also be an appropriate choice. Adding musl to Debian/Ubuntu would mean a bit of work.

Why testing with musl?

  • musl is used as standard library by Emscripten, the compiler employed by the InChI Web demo to cross-compile InChI to Wasm. So testing with musl gives me more confidence in the Wasm build.
  • Is there any interest in using musl instead of glibc for cheminformatics? I've only seen rdkit-pypi#72 so far. (BTW: That's the reason why this issue exists. 😉)

@giallu
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giallu commented Aug 19, 2024

@flange-ipb hey, that's super interesting, thanks for sharing the origin of this.

So if testing requires a build of rdkit for alpine, maybe something like https://github.com/daverona/alpine-rdkit or https://github.com/kubor/alpine-rdkit can help?

Probably @greglandrum can suggest the easiest path forward and avoid some trial/error on InChI's part.

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