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Update rdkit to version 2023_03_03. (#5260)

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It includes PostgreSQL 16 support.
This commit is contained in:
Heikki Linnakangas
2023-09-08 19:40:29 +03:00
committed by GitHub
parent 66633ef2a9
commit 60050212e1
1 changed files with 2 additions and 2 deletions
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Dockerfile.compute-node
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@@ -479,8 +479,8 @@ RUN apt-get update && \
libfreetype6-dev
ENV PATH "/usr/local/pgsql/bin/:/usr/local/pgsql/:$PATH"
RUN wget https://github.com/rdkit/rdkit/archive/refs/tags/Release_2023_03_1.tar.gz -O rdkit.tar.gz && \
echo "db346afbd0ba52c843926a2a62f8a38c7b774ffab37eaf382d789a824f21996c rdkit.tar.gz" | sha256sum --check && \
RUN wget https://github.com/rdkit/rdkit/archive/refs/tags/Release_2023_03_3.tar.gz -O rdkit.tar.gz && \
echo "bdbf9a2e6988526bfeb8c56ce3cdfe2998d60ac289078e2215374288185e8c8d rdkit.tar.gz" | sha256sum --check && \
mkdir rdkit-src && cd rdkit-src && tar xvzf ../rdkit.tar.gz --strip-components=1 -C . && \
cmake \
-D RDK_BUILD_CAIRO_SUPPORT=OFF \