diff --git a/biotite-tools/1.4.0/Dockerfile b/biotite-tools/1.4.0/Dockerfile new file mode 100644 index 00000000..b4e117a6 --- /dev/null +++ b/biotite-tools/1.4.0/Dockerfile @@ -0,0 +1,28 @@ +################## BASE IMAGE ###################### + +FROM biocontainers/biocontainers:v1.0.0_cv4 + +################## METADATA ###################### + +LABEL base_image="biocontainers:v1.0.0_cv4" +LABEL version="1" +LABEL about.summary="Biotite and related structure analysis tools" +LABEL software="Biotite" +LABEL software.version="1.4.0" +LABEL about.tags="Structural biology" +LABEL about.home="https://www.biotite-python.org/" +LABEL about.software="https://github.com/biotite-dev/biotite/archive/refs/tags/v1.4.0.tar.gz" +LABEL about.documentation="https://www.biotite-python.org/" +LABEL about.license="BSD-3-Clause" + +################## MAINTAINER ###################### +MAINTAINER David Prihoda + +RUN conda install -c conda-forge \ + "biotite==1.4.0" \ + "biopython>=1.85" \ + "biopandas>=0.5.1" \ + "scipy>=1.16.2" \ + "fastcluster>=1.3.0" \ + "einops>=0.8.1" \ + && conda clean -a -y