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21 changes: 12 additions & 9 deletions .github/workflows/docker-push.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -13,35 +13,38 @@ jobs:
build-docker-and-push:
runs-on: ubuntu-latest
steps:
-
name: Checkout
uses: actions/checkout@v4
-
name: Set up QEMU
uses: docker/setup-qemu-action@v1
uses: docker/setup-qemu-action@v3
-
name: Set up Docker Buildx
uses: docker/setup-buildx-action@v1
uses: docker/setup-buildx-action@v3
-
name: Login to DockerHub
uses: docker/login-action@v1
uses: docker/login-action@v3
with:
username: ${{ secrets.DOCKER_USERNAME }}
password: ${{ secrets.DOCKER_ACCESS_TOKEN }}
-
name: Build and push
id: docker_build
uses: docker/build-push-action@v2
uses: docker/build-push-action@v6
with:
ref: ${{ github.event.client_payload.sha }}
context: .
push: true
tag_with_ref: true
tag_with_sha: true
tags: rformassspectrometry/metabonaut:latest
tags: |
rformassspectrometry/metabonaut:latest
rformassspectrometry/metabonaut:RELEASE_3_23
-
name: Image digest
run: echo ${{ steps.docker_build.outputs.digest }}

- name: Trigger next workflow
if: success()
uses: peter-evans/repository-dispatch@v1
uses: peter-evans/repository-dispatch@v3
with:
token: ${{ secrets.REPO_GHA_PAT }}
repository: ${{ github.repository }}
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2 changes: 1 addition & 1 deletion DESCRIPTION
Original file line number Diff line number Diff line change
Expand Up @@ -40,7 +40,7 @@ Authors@R:
Description: This resource hosts tutorials and end-to-end workflows
describing how to analyze LC-MS/MS data, from raw files
to annotation, using Bioconductor packages.
License: Artistic-2.0
License: CC BY-SA 4.0
Encoding: UTF-8
LazyData: false
Roxygen: list(markdown = TRUE)
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8 changes: 4 additions & 4 deletions Dockerfile
Original file line number Diff line number Diff line change
@@ -1,10 +1,10 @@
FROM bioconductor/bioconductor_docker:RELEASE_3_22
FROM bioconductor/bioconductor_docker:RELEASE_3_23

LABEL name="rformassspectrometry/Metabonaut" \
url="https://github.com/rformassspectrometry/Metabonaut" \
maintainer="philippine.louail@outlook.com" \
description="Docker container to run the different tutorials hosted on metabonaut. Includes Sirius 6.3 and RuSirius for the advanced feature annotation vignette. This version bases on the Bioconductor devel docker image." \
license="Artistic-2.0"
description="Docker container to run the different tutorials hosted on metabonaut. Includes Sirius 6.3 and RuSirius for the advanced feature annotation vignette. This version is based on the Bioconductor release 3.23 docker image." \
license="CC-BY-SA-4.0"

WORKDIR /home/rstudio

Expand All @@ -14,7 +14,7 @@ RUN rm -rf /home/rstudio/scripts /home/rstudio/vignettes/.quarto
## Global installation of required packages
## Need MsBackendMetaboLights to pre-download the dataset.
## Need MsIO because not on any repository
RUN Rscript -e "BiocManager::install(c('RforMassSpectrometry/MsIO', 'MsBackendMetaboLights', 'mzR') , ask = FALSE, dependencies = c('Depends', 'Imports'), build_vignettes = FALSE)"
RUN Rscript -e "install.packages('remotes'); BiocManager::install(c('RforMassSpectrometry/MsIO', 'MsBackendMetaboLights', 'mzR') , ask = FALSE, dependencies = c('Depends', 'Imports'), build_vignettes = FALSE)"

## Install keyring package from github using pak
RUN Rscript -e "install.packages('pak');pak::pak('r-lib/keyring', ask = FALSE)"
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35 changes: 35 additions & 0 deletions LICENSE
Original file line number Diff line number Diff line change
@@ -0,0 +1,35 @@
Metabonaut: Exploring and Analyzing LC-MS Data

Copyright (c) 2024-2026 The Metabonaut authors (see DESCRIPTION / Authors@R).

This work is licensed under the Creative Commons Attribution-ShareAlike 4.0
International License (CC BY-SA 4.0).

You are free to:

* Share — copy and redistribute the material in any medium or format.
* Adapt — remix, transform, and build upon the material for any purpose,
even commercially.

Under the following terms:

* Attribution — You must give appropriate credit, provide a link to the
license, and indicate if changes were made. You may do so in any
reasonable manner, but not in any way that suggests the licensor
endorses you or your use.

* ShareAlike — If you remix, transform, or build upon the material, you
must distribute your contributions under the same license as the
original.

* No additional restrictions — You may not apply legal terms or
technological measures that legally restrict others from doing anything
the license permits.

To view the full legal text of this license, visit:

https://creativecommons.org/licenses/by-sa/4.0/legalcode

A human-readable summary of the license is available at:

https://creativecommons.org/licenses/by-sa/4.0/
4 changes: 2 additions & 2 deletions README.md
Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
# Let's Explore and Learn to Analyze Untargeted Metabolomics Data

[![License: CC BY-NC 4.0](https://img.shields.io/badge/License-CC%20BY--NC%204.0-lightgrey.svg)](https://creativecommons.org/licenses/by-nc/4.0/)
[![License: CC BY-SA 4.0](https://img.shields.io/badge/License-CC%20BY--SA%204.0-lightgrey.svg)](https://creativecommons.org/licenses/by-sa/4.0/)
[![DOI](https://zenodo.org/badge/849331979.svg)](https://doi.org/10.5281/zenodo.15062929)

## Welcome to **Metabonaut**! 🚀
Expand Down Expand Up @@ -86,7 +86,7 @@ one comprehensive **super-vignette**.

- **Major updates** will be documented here.
- Metabonaut now works with a stable version of Bioconductor
(3.22)
(3.23)
- **Minor updates** can be found in the
[News section](https://rformassspectrometry.github.io/Metabonaut/news/index.html).

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