diff --git a/conda/environment-build.yaml b/conda/environment-build.yaml new file mode 100644 index 0000000..64d92ac --- /dev/null +++ b/conda/environment-build.yaml @@ -0,0 +1,10 @@ +name: recetox-xmsannotator-build +channels: + - conda-forge + - bioconda + - defaults +dependencies: + - anaconda-client + - conda-build + - conda-verify + - r-base \ No newline at end of file diff --git a/conda/environment-dev.yaml b/conda/environment-dev.yaml new file mode 100644 index 0000000..ac40484 --- /dev/null +++ b/conda/environment-dev.yaml @@ -0,0 +1,22 @@ +name: recetox-xmsannotator-dev +channels: + - conda-forge + - bioconda + - defaults +dependencies: + - r-base >= 3.5 + - boost-cpp + - r-biocmanager + - r-flashclust + - r-plyr + - r-wgcna + - r-tidyr + - r-purrr + - r-tibble + - r-dplyr >= 1.0.0 + - r-rcpp >= 0.11.0 + - r-arrow >= 3.0.0 + - bioconductor-rhdf5 + - r-data.table + - r-testthat >= 3.0.0 + - r-readr diff --git a/conda/meta.yaml b/conda/meta.yaml new file mode 100644 index 0000000..463792e --- /dev/null +++ b/conda/meta.yaml @@ -0,0 +1,56 @@ +{% set name = "recetox-xMSannotator" %} +{% set version = "2.0.1" %} +{% set github = "https://github.com/recetox/recetox-xMSannotator" %} + +package: + name: "r-{{ name|lower }}" + version: "{{ version }}" + +source: + path: ../xmsannotator + +build: + number: 0 + noarch: generic + rpaths: + - lib/ + - lib/R/lib/ + script: R CMD INSTALL --build . + + +requirements: + host: + - r-base >=3.5 + - r-dplyr >=1.0.0 + - r-flashclust + - r-wgcna + - r-tidyr + - r-purrr + - r-tibble + run: + - r-base >=3.5 + - r-dplyr + - r-flashclust + - r-wgcna + - r-tidyr + - r-purrr + - r-tibble + - r-data.table + - bioconductor-rhdf5 + - r-rcpp >=0.11.0 + - r-arrow >=3.0.0 + +test: + commands: + - $R -e "library(xmsannotator)" + +about: + home: "{{ github }}" + license: GPL2.0 + summary: Annotate peak intensity table with compounds from the compounds database. A heavily modified fork of the original xMSannotator by Karan Uppal. + +extra: + maintainers: + - RECETOX/conda + identifiers: + - doi:10.1021/acs.analchem.6b01214 \ No newline at end of file