9e75f44f1a
Source-only snapshot of the cluster branch for WES execution. Large reference files (HPA/MANE/ensemble FASTA, model weights, ~597 MB) are omitted: they are baked into the container images at build time and mounted from the dreamdock-data PVC at runtime, and exceed the Gitea request size limit. Pipeline entry point is main.nf, which orchestrates the biotransformer, conplex and tissue modules as a single workflow. Ligand inputs are read from the eureka workspace; protein_zarr and chembl_db come from the dreamdock-data PVC.
21 lines
436 B
Plaintext
21 lines
436 B
Plaintext
FROM mambaorg/micromamba:2.1.1
|
|
|
|
USER root
|
|
|
|
ARG MAMBA_DOCKERFILE_ACTIVATE=1
|
|
|
|
RUN micromamba install -n base -y -c conda-forge -c bioconda --channel-priority flexible \
|
|
python=3.12 \
|
|
numpy \
|
|
pandas \
|
|
scipy \
|
|
r-base=4.3 \
|
|
bioconductor-stringdb \
|
|
r-tidyverse \
|
|
r-argparser \
|
|
r-sqldf \
|
|
r-rsqlite \
|
|
r-argparse \
|
|
procps-ng
|
|
|
|
COPY ./app_network /app |