33# It's purpose is to create the RDKit artifacts that will be deployed to lighter weight images.
44
55# Latest RDKit now needs cmake 3.1 which is not preset on jessie so we must use buster
6- FROM debian:buster
6+ FROM debian:bullseye
77LABEL maintainer="Tim Dudgeon<
[email protected] >"
88
99ARG GIT_REPO
1010ARG GIT_BRANCH=master
1111ARG GIT_TAG
12- ARG POSTGRES_VERSION=11
12+ ARG POSTGRES_VERSION=13
13+
14+ RUN echo "deb http://deb.debian.org/debian buster main" >> /etc/apt/sources.list
1315
1416RUN apt-get update &&\
1517 apt-get install -y --no-install-recommends \
@@ -21,14 +23,14 @@ RUN apt-get update &&\
2123 sqlite3\
2224 libsqlite3-dev\
2325 libboost-dev\
24- libboost-system1.67 -dev\
25- libboost-thread1.67 -dev\
26- libboost-serialization1.67 -dev\
27- libboost-python1.67 -dev\
28- libboost-regex1.67 -dev\
29- libboost-iostreams1.67 -dev\
26+ libboost-system1.74 -dev\
27+ libboost-thread1.74 -dev\
28+ libboost-serialization1.74 -dev\
29+ libboost-python1.74 -dev\
30+ libboost-regex1.74 -dev\
31+ libboost-iostreams1.74 -dev\
3032 zlib1g-dev\
31- swig \
33+ swig3.0 \
3234 libeigen3-dev\
3335 git\
3436 wget\
@@ -46,10 +48,6 @@ RUN if [ $GIT_TAG ]; then echo "Checking out tag $GIT_TAG from repo $GIT_REPO br
4648RUN git clone -b $GIT_BRANCH --single-branch $GIT_REPO &&\
4749 if [ $GIT_TAG ]; then cd rdkit && git fetch --tags && git checkout $GIT_TAG; fi
4850
49- # hack to build cartridge packages. can be removed once this code hits the repo
50- COPY patch_pgsql_rpm.patch /rdkit
51- RUN cd /rdkit && patch -p1 < patch_pgsql_rpm.patch
52-
5351ENV RDBASE=/rdkit
5452ENV LD_LIBRARY_PATH=$LD_LIBRARY_PATH:$RDBASE/lib:$RDBASE/Code/JavaWrappers/gmwrapper:/usr/lib/x86_64-linux-gnu
5553ENV PYTHONPATH=$PYTHONPATH:$RDBASE
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