diff --git a/Dockerfile b/Dockerfile new file mode 100644 index 0000000..c37cb4b --- /dev/null +++ b/Dockerfile @@ -0,0 +1,10 @@ +FROM nlesc/magma + +MAINTAINER Lars Ridder + +RUN conda install -c conda-forge chemspipy +ADD annotate_docs.py /motif_annotation/annotate_docs.py +ADD ms2lda_feature_extraction.py /ms2ldaviz/lda/code/ms2lda_feature_extraction.py + +WORKDIR / +ENTRYPOINT ["/motif_annotation/annotate_docs.py"]