Drop careless-gpu: the [cuda] pip extra install covers GPU and CPU nodes

The installed careless/0.5.4 venv already contains the NVIDIA wheels
([cuda] extra), which need only the node driver and fall back to CPU,
so a separate GPU module and cuda module dep are unnecessary. Revert
careless/build to careless[cuda] to match the actual install.

Co-Authored-By: Claude Fable 5 <noreply@anthropic.com>
This commit is contained in:
duan_jandClaude Fable 5 committed 2026-08-18 11:13:19 +02:00
1 parent b55d6c1d91
commit f6c2f5a650
7 files changed
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# careless-gpu
GPU build of careless (see `../careless/` for the CPU module and the full
background). Scaling and merging of X-ray diffraction data with approximate
Bayesian inference (variational merging), built on TensorFlow.
- Upstream: https://github.com/rs-station/careless
- License: MIT
## How it differs from the careless module
- CUDA is not pip-installed (no `[cuda]` extra, saves several GB): the
cluster `cuda/12.8.1` module provides it instead, declared as
`build_requires`/`runtime_deps` (same pattern as `jfjoch_viewer`).
`runtime_deps` matters because TensorFlow dlopens the CUDA libraries
when careless runs, so cuda must auto-load with this module.
- If careless reports missing cuDNN at runtime, the cuda module does not
ship it; the fallback is installing `careless[cuda]` in `build` instead.
The venv layout, uv usage, and cache handling are identical to `careless`.
To share one download cache between both builds, run each with
`UV_CACHE_DIR=<shared path> modbuild build <version>` — a cache outside
PREFIX is kept, an in-PREFIX cache is removed after a successful install.
## Adding a new version
Add the version under `versions:` in `files/config.yaml`, then on a Ra
login node: `modbuild build <version>` (modbuild/2.1.2).
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#!/usr/bin/env modbuild
pbuild::prep() {
:
}
pbuild::configure() {
# same uv pattern as the careless (CPU) module; see that build for the whys
UV="${UV:-$HOME/.local/bin/uv}"
export UV_CACHE_DIR="${UV_CACHE_DIR:-$PREFIX/.uv-cache}"
export UV_PYTHON_INSTALL_DIR="$PREFIX/python"
"$UV" venv --python 3.12 "$PREFIX/venv"
}
pbuild::compile() {
:
}
pbuild::install() {
UV="${UV:-$HOME/.local/bin/uv}"
export UV_CACHE_DIR="${UV_CACHE_DIR:-$PREFIX/.uv-cache}"
# no [cuda] extra: CUDA comes from the cuda/12.8.1 module
# (build_requires/runtime_deps in files/config.yaml), not from pip wheels
"$UV" pip install --python "$PREFIX/venv/bin/python" "careless==${V_PKG}"
[[ "$UV_CACHE_DIR" == "$PREFIX"* ]] && rm -rf "$UV_CACHE_DIR" || :
}
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---
format: 1
careless-gpu:
defaults:
group: MX
overlay: base
relstage: unstable
versions:
0.5.4:
config:
relstage: unstable
build_requires: ["cuda/12.8.1"]
runtime_deps: ["cuda/12.8.1"]
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#%Module1.0
module-whatis "careless (GPU) - merging crystallography data with variational inference"
module-url "https://github.com/rs-station/careless"
module-license "MIT"
module-maintainer "MX Data <jiaxin.duan@psi.ch>"
module-help "
careless: scaling and merging of X-ray diffraction data using
approximate Bayesian inference (TensorFlow). GPU build: CUDA is
provided by the cuda/12.8.1 module, auto-loaded as a runtime dep.
Use on nodes with an NVIDIA GPU; for CPU nodes load careless instead.
"
setenv CARELESS_ENV $PREFIX/venv
prepend-path PATH $PREFIX/venv/bin