[Rdkit-discuss] Building DEB and RPM packages for cartridge
As some of you will know I am creating various Docker images for RDKit. See [1] and [2] if you want to know more. The key to these is building RPM and DEB packages using `cpack`. This is mostly working pretty well as you will see in those links. Now I'm wanting to extend this to building images for the postgres cartridge and I'm at a point where I'm stuck and would welcome some advice. I just modified the build process on Debian [3] to include the postgres packages and the add the options to cmake for building the cartridge. That all went OK and I end up with a functioning cartridge. The key part of the Dockerfile looks like this: RUN cmake -Wno-dev\ -DRDK_INSTALL_INTREE=OFF\ -DRDK_BUILD_INCHI_SUPPORT=ON\ -DRDK_BUILD_AVALON_SUPPORT=ON\ -DRDK_BUILD_PYTHON_WRAPPERS=ON\ -DRDK_BUILD_SWIG_WRAPPERS=ON\ -DRDK_BUILD_PGSQL=ON\ -DPostgreSQL_ROOT=/usr/lib/postgresql/10\ -DPostgreSQL_TYPE_INCLUDE_DIR=/usr/include/postgresql/10/server\ -DCMAKE_INSTALL_PREFIX=/usr\ .. RUN nproc=$(getconf _NPROCESSORS_ONLN)\ && make -j $(( nproc > 2 ? nproc - 2 : 1 ))\ && make install\ && sh Code/PgSQL/rdkit/pgsql_install.sh\ && cpack -G DEB\ && cpack -G RPM But what I was hoping is that cpack would magically create DEB and RPM packages for postgres for me, but that does not seem to be the case. If only life were so simple:-) I know there are processes in place that can build these packages for cartridge (certainly for Centos) but it's not obvious to me how these work and whether this is in any way related to the way that cpack is being used here. Can anyone shed any light on this? Thanks Tim [1] https://github.com/InformaticsMatters/docker-rdkit [2] https://www.informaticsmatters.com/category/containers/index.html [3] https://github.com/InformaticsMatters/docker-rdkit/blob/master/Dockerfile-build-debian -- Check out the vibrant tech community on one of the world's most engaging tech sites, Slashdot.org! http://sdm.link/slashdot ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
Re: [Rdkit-discuss] Chembience
Hello, I have just released Chembience 0.2.1: it updates RDKit to version 2018.03.2 and switches Postgres from the 9.x series to version 10.4 https://github.com/chembience/chembience Best, Markus On Mon, May 14, 2018 at 1:49 AM Markus Sitzmann wrote: > Hello, > > I have released Chembience 0.2.0: it includes an update to RDKit 2018.03 > and also provides Jupyter as new base App container type. > > https://github.com/chembience/chembience > > (so, assuming you have Docker and docker-compose installed on your > computer, you are a few, easy commands away from your personal Jupyter > notebook server with all RDKit 2018.03 goodness readily available). > > Best, > Markus > > > On Tue, Apr 24, 2018 at 10:44 AM Markus Sitzmann < > markus.sitzm...@gmail.com> wrote: > >> Hello, >> >> since it includes RDKit as one of its major components I am happy to >> announce the first release of my new open-source project Chembience: >> >> A Docker-based, cloudable platform for the development of >> chemoinformatics-centric web applications and microservices. >> >> https://github.com/chembience/chembience >> >> (unfortunately it is still on RDKit 2017.09_3, I failed releasing it >> before 2018.03 :-) ). >> >> Best, >> Markus >> > -- Check out the vibrant tech community on one of the world's most engaging tech sites, Slashdot.org! http://sdm.link/slashdot___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
