From c900523c386dbd1f39ab3a882163991401443a03 Mon Sep 17 00:00:00 2001 From: Nisha Sharma Date: Fri, 25 Sep 2026 11:37:57 +0200 Subject: [PATCH 1/2] fix: update miniconda3 version and improve nodejs installation process in Dockerfile --- Dockerfile | 9 ++++++--- 1 file changed, 6 insertions(+), 3 deletions(-) diff --git a/Dockerfile b/Dockerfile index e9f73d1..08b2082 100644 --- a/Dockerfile +++ b/Dockerfile @@ -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 @@ -51,8 +51,11 @@ 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 From 586a580a38ec099b2db5eec9730d114a03044a4d Mon Sep 17 00:00:00 2001 From: hamed musallam Date: Fri, 25 Sep 2026 20:37:58 +0200 Subject: [PATCH 2/2] fix: use conda-forge as the only conda channel --- Dockerfile | 9 +++++++-- 1 file changed, 7 insertions(+), 2 deletions(-) diff --git a/Dockerfile b/Dockerfile index 08b2082..0964b23 100644 --- a/Dockerfile +++ b/Dockerfile @@ -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