Skip to content

Alpine scripts - #53

Open
AbhirupaGhosh wants to merge 15 commits into
mainfrom
alpine
Open

AbhirupaGhosh wants to merge 15 commits into
mainfrom
alpine

Conversation

@AbhirupaGhosh

Copy link
Copy Markdown
Contributor

Changed docker to apptainer.

First time run might take longer time since the apptainer will pull the docker images

epbrenner and others added 15 commits September 8, 2026 13:49
Adding a very simple dev script that creates .rda files out of our .tsv mapping data. Replaced a few places where the only raw TSV data was used instead of the internal datasets. Removed some S. epi files of uncertain origin. Not sure where those came from, honestly.
Updating scripts to use BiocFileCache throughout. Updating manifest for better handoff to amRml. Updating HMMER databases to use BiocFileCache and be saved as resources.
Wee `devtools::document(".")` updates, and adding BiocFileCache to Imports.
Error in `.runHmmerJob()`:
! unused argument (total_proteins = total_proteins)

So if make the change, the error is not showing up.
But I still don't know the logic.
Without this, clean_drug/drug_class/drug_abbr/class_abbr/cleaned_bvbrc_countries
only resolve under devtools::load_all(); a real installed-package library() call
throws object 'clean_drug' not found, which breaks runDataProcessing().
Good catch Emily! Can replicate that `checkDataAvailability()` fails with this absent.

Co-authored-by: Emily Boyer <130874527+eboyer221@users.noreply.github.com>
CPU resource detection was faulty on HPC. Added parallelly as an Import, and updated to use the recommended future CPU detection method, parallelly::availableCores(). This should behave better to avoid oversubscription on any system, and generally handle CPU requests more carefully.
@AbhirupaGhosh
AbhirupaGhosh marked this pull request as ready for review September 16, 2026 00:40
@AbhirupaGhosh

Copy link
Copy Markdown
Contributor Author

This is a PR but we don't want to merge it. This branch will only be useful for our internal use. I have merged commits from @epbrenner 's current PR and tested its run.
@JRaviLab/amr, we are ready for creating ORBs.

@AbhirupaGhosh

Copy link
Copy Markdown
Contributor Author

The general recommended steps in Alpine

cd /pl/active/jravilab/amRpkg/github/amRdata/

module load R

R

invisible(lapply(list.files("R/", full.names=TRUE), source))
prepareGenomes("Proteus mirabilis")
runDataProcessing("/pl/active/jravilab/amRpkg/github/amRdata/data/Proteus_mirabilis/Pmi.duckdb", hmmer_db_dir="/pl/active/jravilab/amRpkg/apptainers/")

I have added the Docker images and HMMER databases in "/pl/active/jravilab/amRpkg/apptainers/" for convenience.
The scripts are capable of pulling Docker images and HMMER databases on the fly and storing them on cache.

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

None yet

Projects

None yet

Development

Successfully merging this pull request may close these issues.

3 participants