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fix: update miniconda3 version and improve nodejs installation proces… #145

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Merged
NishaSharma14 merged 2 commits into from
Sep 28, 2026
Merged

fix: update miniconda3 version and improve nodejs installation proces… #145

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fix: update miniconda3 version and improve nodejs installation proces…
NishaSharma14 Sep 25, 2026
586a580
fix: use conda-forge as the only conda channel
hamed-musallam Sep 25, 2026
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18 changes: 13 additions & 5 deletions Dockerfile
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Original file line number Diff line number Diff line change
@@ -1,4 +1,4 @@
FROM continuumio/miniconda3:24.1.2-0 AS nmrkit-ms
FROM continuumio/miniconda3:25.3.1-1 AS nmrkit-ms
ARG TARGETARCH=amd64

ENV PYTHON_VERSION=3.10
Expand All @@ -24,8 +24,13 @@ RUN apt-get update && \

RUN apt-get update && apt-get -y install docker.io

RUN conda install -c conda-forge python>=PYTHON_VERSION
RUN conda install -c conda-forge openbabel>=OPENBABEL_VERSION
RUN conda config --remove-key channels && \
conda config --add channels conda-forge && \
conda config --set channel_priority strict

RUN conda install -y \
"python=${PYTHON_VERSION}" \
"openbabel>=${OPENBABEL_VERSION}"

RUN pip3 install rdkit

Expand All @@ -51,8 +56,11 @@ RUN python3 -m pip install uvicorn[standard]

COPY ./app /code/app

RUN curl -sL https://deb.nodesource.com/setup_current.x | bash -
RUN apt-get install -y nodejs
# Download the setup script first so a failure fails the build instead of being masked by the pipe
RUN curl -fsSL https://deb.nodesource.com/setup_24.x -o /tmp/nodesource_setup.sh && \
bash /tmp/nodesource_setup.sh && \
apt-get install -y nodejs && \
rm -rf /var/lib/apt/lists/* /tmp/nodesource_setup.sh
RUN npm install -g npm@latest

RUN npm install -g /code/app/scripts/nmr-cli
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