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Merge pull request #46 from aberHRML/devel
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v1.0.0
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jasenfinch committed Feb 21, 2023
2 parents 25dd815 + 16f980d commit 42d915d
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5 changes: 5 additions & 0 deletions .Rbuildignore
Expand Up @@ -4,3 +4,8 @@
^\.travis\.yml$
^codecov\.yml$
^\.github$
^_pkgdown\.yml$
^docs$
^pkgdown$
^doc$
^Meta$
82 changes: 22 additions & 60 deletions .github/workflows/R-CMD-check.yaml
@@ -1,13 +1,10 @@
# For help debugging build failures open an issue on the RStudio community with the 'github-actions' tag.
# https://community.rstudio.com/new-topic?category=Package%20development&tags=github-actions
# Workflow derived from https://github.com/r-lib/actions/tree/v2/examples
# Need help debugging build failures? Start at https://github.com/r-lib/actions#where-to-find-help
on:
push:
branches:
- master
- devel
branches: [main, master, devel]
pull_request:
branches:
- master
branches: [main, master]

name: R-CMD-check

Expand All @@ -21,67 +18,32 @@ jobs:
fail-fast: false
matrix:
config:
#- {os: windows-latest, r: 'release'}
#- {os: macOS-latest, r: 'release'}
- {os: ubuntu-20.04, r: 'release', rspm: "https://packagemanager.rstudio.com/cran/__linux__/focal/latest"}
- {os: ubuntu-20.04, r: 'devel', rspm: "https://packagemanager.rstudio.com/cran/__linux__/focal/latest"}
- {os: macos-latest, r: 'release'}
- {os: windows-latest, r: 'release'}
- {os: ubuntu-latest, r: 'devel', http-user-agent: 'release'}
- {os: ubuntu-latest, r: 'release'}
- {os: ubuntu-latest, r: 'oldrel-1'}

env:
R_REMOTES_NO_ERRORS_FROM_WARNINGS: true
RSPM: ${{ matrix.config.rspm }}
GITHUB_PAT: ${{ secrets.GITHUB_TOKEN }}
R_KEEP_PKG_SOURCE: yes

steps:
- uses: actions/checkout@v2
- uses: actions/checkout@v3

- uses: r-lib/actions/setup-r@master
- uses: r-lib/actions/setup-pandoc@v2

- uses: r-lib/actions/setup-r@v2
with:
r-version: ${{ matrix.config.r }}
http-user-agent: ${{ matrix.config.http-user-agent }}
use-public-rspm: true

- uses: r-lib/actions/setup-pandoc@master

- name: Query dependencies
run: |
install.packages('remotes')
saveRDS(remotes::dev_package_deps(dependencies = TRUE), ".github/depends.Rds", version = 2)
writeLines(sprintf("R-%i.%i", getRversion()$major, getRversion()$minor), ".github/R-version")
shell: Rscript {0}

- name: Cache R packages
if: runner.os != 'Windows'
uses: actions/cache@v1
- uses: r-lib/actions/setup-r-dependencies@v2
with:
path: ${{ env.R_LIBS_USER }}
key: ${{ runner.os }}-${{ hashFiles('.github/R-version') }}-1-${{ hashFiles('.github/depends.Rds') }}
restore-keys: ${{ runner.os }}-${{ hashFiles('.github/R-version') }}-1-

- name: Install system dependencies
if: runner.os == 'Linux'
run: |
while read -r cmd
do
eval sudo $cmd
done < <(Rscript -e 'writeLines(remotes::system_requirements("ubuntu", "20.04"))')
sudo apt install libopenbabel-dev
- name: Install dependencies
run: |
remotes::install_deps(dependencies = TRUE)
remotes::install_cran("rcmdcheck")
shell: Rscript {0}

- name: Check
env:
_R_CHECK_CRAN_INCOMING_REMOTE_: false
run: rcmdcheck::rcmdcheck(args = c("--no-manual", "--as-cran"), error_on = "warning", check_dir = "check")
shell: Rscript {0}

- name: Test coverage
run: covr::codecov()
shell: Rscript {0}
extra-packages: any::rcmdcheck
needs: check

- name: Upload check results
if: failure()
uses: actions/upload-artifact@main
- uses: r-lib/actions/check-r-package@v2
with:
name: ${{ runner.os }}-r${{ matrix.config.r }}-results
path: check
upload-snapshots: true
46 changes: 46 additions & 0 deletions .github/workflows/pkgdown.yaml
@@ -0,0 +1,46 @@
# Workflow derived from https://github.com/r-lib/actions/tree/v2/examples
# Need help debugging build failures? Start at https://github.com/r-lib/actions#where-to-find-help
on:
push:
branches: [main, master]
pull_request:
branches: [main, master]
release:
types: [published]
workflow_dispatch:

name: pkgdown

jobs:
pkgdown:
runs-on: ubuntu-latest
# Only restrict concurrency for non-PR jobs
concurrency:
group: pkgdown-${{ github.event_name != 'pull_request' || github.run_id }}
env:
GITHUB_PAT: ${{ secrets.GITHUB_TOKEN }}
steps:
- uses: actions/checkout@v3

- uses: r-lib/actions/setup-pandoc@v2

- uses: r-lib/actions/setup-r@v2
with:
use-public-rspm: true

- uses: r-lib/actions/setup-r-dependencies@v2
with:
extra-packages: any::pkgdown, local::.
needs: website

- name: Build site
run: pkgdown::build_site_github_pages(new_process = FALSE, install = FALSE)
shell: Rscript {0}

- name: Deploy to GitHub pages 🚀
if: github.event_name != 'pull_request'
uses: JamesIves/github-pages-deploy-action@v4.4.1
with:
clean: false
branch: gh-pages
folder: docs
50 changes: 50 additions & 0 deletions .github/workflows/test-coverage.yaml
@@ -0,0 +1,50 @@
# Workflow derived from https://github.com/r-lib/actions/tree/v2/examples
# Need help debugging build failures? Start at https://github.com/r-lib/actions#where-to-find-help
on:
push:
branches: [main, master]
pull_request:
branches: [main, master]

name: test-coverage

jobs:
test-coverage:
runs-on: ubuntu-latest
env:
GITHUB_PAT: ${{ secrets.GITHUB_TOKEN }}

steps:
- uses: actions/checkout@v3

- uses: r-lib/actions/setup-r@v2
with:
use-public-rspm: true

- uses: r-lib/actions/setup-r-dependencies@v2
with:
extra-packages: any::covr
needs: coverage

- name: Test coverage
run: |
covr::codecov(
quiet = FALSE,
clean = FALSE,
install_path = file.path(Sys.getenv("RUNNER_TEMP"), "package")
)
shell: Rscript {0}

- name: Show testthat output
if: always()
run: |
## --------------------------------------------------------------------
find ${{ runner.temp }}/package -name 'testthat.Rout*' -exec cat '{}' \; || true
shell: bash

- name: Upload test results
if: failure()
uses: actions/upload-artifact@v3
with:
name: coverage-test-failures
path: ${{ runner.temp }}/package
4 changes: 4 additions & 0 deletions .gitignore
Expand Up @@ -2,3 +2,7 @@
.Rhistory
.RData
.Ruserdata
docs
inst/doc
/doc/
/Meta/
100 changes: 39 additions & 61 deletions DESCRIPTION
@@ -1,72 +1,50 @@
Package: MFassign
Title: Molecular Formula Assignment for High Resolution metabolomics
Version: 0.7.10
Package: assignments
Title: Molecular Formula Assignment For High Resolution ESI-MS Based Metabolomics Data
Version: 1.0.0
Authors@R: person("Jasen", "Finch", email = "jsf9@aber.ac.uk", role = c("aut", "cre"))
Description: Molecular formula assignment for high resolution metabolomics.
Description: A molecular formula assignment approach for electrospray ionisation high resolution mass spectrometry based metabolomics data.
Depends: R (>= 3.5.0),
ggraph
Imports: CHNOSZ,
Imports: cli,
crayon,
dplyr,
furrr,
future,
igraph,
lubridate,
magrittr,
stringr,
tibble,
metabolyseR,
methods,
tidyr,
crayon,
mzAnnotation,
purrr,
cli,
lubridate,
rlang,
stringr,
tibble,
tidygraph,
igraph,
ggthemes,
tidyr
License: GPL (>= 3)
Encoding: UTF-8
LazyData: true
Roxygen: list(markdown = TRUE)
RoxygenNote: 7.2.3
Collate: parameters.R assignment.R correlations.R
addIsoAssign.R transformationAssign.R relationships.R
graph.R assign.R internals.R components.R
feature_data.R assignments.R plotAdductDist.R plot_components.R
plotSpectrum.R reexports.R zzz.R
Suggests:
testthat,
covr,
ggplot2,
patchwork,
mzAnnotation,
metabolyseR,
ggraph,
ggrepel,
ggtext,
ggthemes,
glue,
graphlayouts,
future,
furrr
Remotes: jasenfinch/mzAnnotation,
patchwork,
knitr,
rmarkdown
Remotes: aberHRML/mzAnnotation,
jasenfinch/metabolyseR
License: GPL (>= 3)
Encoding: UTF-8
LazyData: true
RoxygenNote: 7.1.1
Collate:
allGenerics.R
allClasses.R
prepCorrelations-method.R
addIsoAssign-method.R
transformationAssign-method.R
relationships-method.R
assignmentParameters.R
assignMFs.R
MFgen.R
MFscore.R
addIsoScore.R
addMFs.R
calcComponents.R
assignMethods.R
peakData.R
LCassignment.R
MFassign.R
FIEassignment.R
doAssignment-method.R
continueAssignment.R
show-method.R
access-methods.R
summariseAssignment-method.R
plotNetwork-method.R
networkComponents.R
addNames.R
eliminate.R
recalcComponents.R
plotAdductDist-method.R
plotFeatureSolutions.R
calcCorrelations-method.R
filterCorrelations-method.R
plotSpectrum-method.R
reexports.R
Suggests: testthat,
covr
URL: https://aberhrml.github.io/assignments/
VignetteBuilder: knitr

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