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Update docker image to newest version
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Passing unit test in Docker
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CamiloPosso committed Mar 30, 2023
1 parent f63edc6 commit 4f1699d
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4 changes: 2 additions & 2 deletions Dockerfile
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FROM tensorflow1.2.1-py36
FROM tensorflow2.12.0-py310

WORKDIR /Kaiko_pipeline
ADD ./Kaiko_denovo /Kaiko_pipeline/Kaiko_denovo
Expand All @@ -11,4 +11,4 @@ ADD ./unit_test_util.py /Kaiko_pipeline
ADD ./kaiko_defaults.yaml /Kaiko_pipeline

RUN pip install --no-cache-dir --upgrade pip && \
pip install --no-cache-dir llvmlite==0.22 biopython==1.69 numba==0.37 pyteomics sigopt==3.2.0 memory-profiler pyyaml pathlib s3path
pip install --no-cache-dir llvmlite==0.39.1 biopython==1.81 numba==0.56.4 pyteomics sigopt==3.2.0 memory-profiler pyyaml pathlib s3path
10 changes: 10 additions & 0 deletions Dockerfile_tensorflow2.12.0-py310
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FROM python:3.10
RUN apt-get update && \
apt-get install -y --no-install-recommends build-essential curl libfreetype6-dev libpng-dev libzmq3-dev pkg-config python3 python3-dev rsync software-properties-common unzip && \
apt-get clean && \
rm -rf /var/lib/apt/lists/*
RUN pip3 --no-cache-dir install https://files.pythonhosted.org/packages/3f/b2/33372601ed71fb41049642f8f6e1e142215e8b5c3463df434fc8885db278/tensorflow-2.12.0-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
RUN pip3 --no-cache-dir install ipykernel jupyter matplotlib numpy scipy scikit-learn pandas Pillow && \
python3 -m ipykernel.kernelspec
CMD ["/bin/bash"]
MAINTAINER Camilo Posso <camilo.posso@pnnl.gov>
4 changes: 2 additions & 2 deletions Kaiko_volume/config.yaml
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denovo:
multi_decode: true
mgf_dir: Kaiko_volume/Kaiko_input_files/mgf_small
mgf_dir: Kaiko_volume/Kaiko_input_files/mgf_large
diamond tally:
diamond_folder: 'Kaiko_volume/Kaiko_stationary_files/diamond'
diamond_folder: Kaiko_volume/Kaiko_stationary_files/diamond-2.0.15


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