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Update rdkit to version 2023_03_03. (#5260)
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It includes PostgreSQL 16 support.
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hlinnaka authored Sep 8, 2023
1 parent 66633ef commit 6005021
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions Dockerfile.compute-node
Original file line number Diff line number Diff line change
Expand Up @@ -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 \
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1712 tests run: 1632 passed, 0 failed, 80 skipped (full report)


Code coverage (full report)

  • functions: 53.1% (7599 of 14307 functions)
  • lines: 81.4% (44698 of 54908 lines)

The comment gets automatically updated with the latest test results
6005021 at 2023-09-08T17:21:47.676Z :recycle:

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