updated cartridge build and other things

Author: tdudgeon

Dockerfile-build-debian

@@ -2,7 +2,6 @@
 # This is a heavyweight image containing all aspects of RDKit plus the build system.
 # It's purpose is to create the RDKit artifacts that will be deployed to lighter weight images.
 
-# Latest RDKit now needs cmake 3.1 which is not preset on jessie so we must use buster
 FROM debian:bullseye
 LABEL maintainer="Tim Dudgeon<[email protected]>"
 
@@ -12,7 +11,6 @@ ARG GIT_TAG
 ARG POSTGRES_VERSION=13
 ARG BOOST_VER=1.74-dev
 
-RUN echo "deb http://deb.debian.org/debian buster main" >> /etc/apt/sources.list
 
 RUN apt-get update &&\
   apt-get install -y --no-install-recommends \
@@ -31,7 +29,7 @@ RUN apt-get update &&\
   libboost-regex$BOOST_VER\
   libboost-iostreams$BOOST_VER\
   zlib1g-dev\
-  swig3.0\
+  swig\
   libeigen3-dev\
   git\
   wget\

Dockerfile-cartridge-debian

@@ -16,6 +16,7 @@ RUN apt-get update &&\
  apt-get install -y --no-install-recommends\
  python3\
  python3-numpy\
+ python-is-python3\
  libboost-system$BOOST_VER\
  libboost-thread$BOOST_VER\
  libboost-serialization$BOOST_VER\
@@ -42,9 +43,6 @@ COPY\
   /tmp/
 RUN dpkg -i /tmp/*.deb && rm -f /tmp/*.deb
 
-# symlink python3 to python
-RUN cd /usr/bin && ln -s python3 python
-
 WORKDIR /
 
 # make the sample config easier to munge (and "correct by default")

Dockerfile-java-debian

@@ -4,19 +4,20 @@
 FROM debian:bullseye
 LABEL maintainer="Tim Dudgeon<[email protected]>"
 
+ARG BOOST_VER=1.74.0
 
 RUN apt-get update &&\
  apt-get upgrade -y &&\
  apt-get install -y --no-install-recommends\
  openjdk-11-jre-headless\
- libboost-system1.74.0\
- libboost-thread1.74.0\
- libboost-serialization1.74.0\
- libboost-regex1.74.0\
- libboost-chrono1.74.0\
- libboost-date-time1.74.0\
- libboost-atomic1.74.0\
- libboost-iostreams1.74.0\
+ libboost-system$BOOST_VER\
+ libboost-thread$BOOST_VER\
+ libboost-serialization$BOOST_VER\
+ libboost-regex$BOOST_VER\
+ libboost-chrono$BOOST_VER\
+ libboost-date-time$BOOST_VER\
+ libboost-atomic$BOOST_VER\
+ libboost-iostreams$BOOST_VER\
  libfreetype6 &&\
  apt-get clean -y
 

Dockerfile-python3-debian

@@ -1,9 +1,11 @@
 # Dockerfile for Python3 based RDKit implementation
-# Based on Debian. Does not include Python2.
+# Based on Debian.
 
-FROM debian:buster
+FROM debian:bullseye
 LABEL maintainer="Tim Dudgeon<[email protected]>"
 
+ARG BOOST_VER=1.74.0
+
 RUN apt-get update &&\
  apt-get upgrade -y &&\ 
  apt-get install -y --no-install-recommends\
@@ -14,16 +16,17 @@ RUN apt-get update &&\
  python3-setuptools\
  python3-wheel\
  python3-six\
+ python-is-python3\
  gcc\
- libboost-system1.67.0\
- libboost-thread1.67.0\
- libboost-serialization1.67.0\
- libboost-python1.67.0\
- libboost-regex1.67.0\
- libboost-chrono1.67.0\
- libboost-date-time1.67.0\
- libboost-atomic1.67.0\
- libboost-iostreams1.67.0\
+ libboost-system$BOOST_VER\
+ libboost-thread$BOOST_VER\
+ libboost-serialization$BOOST_VER\
+ libboost-python$BOOST_VER\
+ libboost-regex$BOOST_VER\
+ libboost-chrono$BOOST_VER\
+ libboost-date-time$BOOST_VER\
+ libboost-atomic$BOOST_VER\
+ libboost-iostreams$BOOST_VER\
  sqlite3\
  wget\
  zip\
@@ -35,9 +38,6 @@ ARG DOCKER_TAG=latest
 COPY artifacts/debian/$DOCKER_TAG/debs/RDKit-*-Linux-Runtime.deb artifacts/debian/$DOCKER_TAG/debs/RDKit-*-Linux-Python.deb /tmp/
 RUN dpkg -i /tmp/*.deb && rm -f /tmp/*.deb
 
-# symlink python3 to python
-RUN cd /usr/bin && ln -s python3 python && ln -s pip3 pip
-
 ENV RDBASE=/usr/share/RDKit
 
 WORKDIR /

push-debian.sh

@@ -4,7 +4,6 @@ set -e
 
 source params.sh
 
-docker push $BASE/rdkit-build-debian:$DOCKER_TAG
 docker push $BASE/rdkit-python3-debian:$DOCKER_TAG
 docker push $BASE/rdkit-java-debian:$DOCKER_TAG
 docker push $BASE/rdkit-tomcat-debian:$DOCKER_TAG