diff --git a/conda/environment-build.yaml b/conda/environment-build.yaml new file mode 100644 index 00000000..8d2037d9 --- /dev/null +++ b/conda/environment-build.yaml @@ -0,0 +1,25 @@ +name: recetox-aplcms-build +channels: + - conda-forge + - bioconda + - defaults +dependencies: + - anaconda-client + - conda-build + - conda-verify + - r-base >=3.5 + - r-mass + - r-rgl + - bioconductor-mzR + - r-splines2 + - r-doparallel + - r-foreach + - r-iterators + - r-snow + - r-gbm + - r-e1071 + - r-randomForest + - r-rocr + - r-rocs + - r-rcpp + - r-arrow \ No newline at end of file diff --git a/conda/environment-dev.yaml b/conda/environment-dev.yaml new file mode 100644 index 00000000..9be08f8e --- /dev/null +++ b/conda/environment-dev.yaml @@ -0,0 +1,24 @@ +name: recetox-aplcms +channels: + - conda-forge + - bioconda + - defaults +dependencies: + - r-base >= 3.5 + - r-devtools + - r-biocmanager + - r-mass + - r-rgl + - bioconductor-mzR + - r-splines2 + - r-doparallel + - r-foreach + - r-iterators + - r-snow + - r-gbm + - r-e1071 + - r-randomForest + - r-rocr + - r-rocs + - r-rcpp + - r-arrow \ No newline at end of file diff --git a/conda/meta.yaml b/conda/meta.yaml new file mode 100644 index 00000000..5caebbf1 --- /dev/null +++ b/conda/meta.yaml @@ -0,0 +1,72 @@ +{% set name = "recetox-aplcms" %} +{% set version = "0.9.3" %} +{% set github = "https://github.com/RECETOX/recetox-aplcms" %} + +package: + name: "r-{{ name|lower }}" + version: "{{ version }}" + +source: + path: .. + +build: + number: 0 + noarch: generic + rpaths: + - lib/ + - lib/R/lib/ + script: R CMD INSTALL --build . + + +requirements: + host: + - r-base >=3.5 + - r-mass + - r-rgl + - bioconductor-mzR + - r-splines2 + - r-doparallel + - r-foreach + - r-iterators + - r-snow + - r-gbm + - r-e1071 + - r-randomForest + - r-rocr + - r-rocs + - r-rcpp + + run: + - r-base >=3.5 + - r-devtools + - r-biocmanager + - r-mass + - r-rgl + - bioconductor-mzR + - r-splines2 + - r-doparallel + - r-foreach + - r-iterators + - r-snow + - r-gbm + - r-e1071 + - r-randomForest + - r-rocr + - r-rocs + - r-rcpp + - r-arrow + +test: + commands: + - $R -e "library(recetox.aplcms)" + +about: + home: "{{ github }}" + license: GPL2.0 + summary: apLCMS is a software which generates a feature table from a batch of LC/MS spectra. A modified fork of the original apLCMS by Tianwei Yu. + +extra: + maintainers: + - RECETOX/conda + identifiers: + - doi:10.1093/bioinformatics/btp291