Re: [Rdkit-discuss] Chembience Postgres RDKit extension
Hello, I have added a Postgres-13/RDKit 2021.03-Version to my Chembience Postgres RDKit project (https://github.com/chembience/docker-postgres-rdkit-compile) Available Docker images are now *chembience/postgres-rdkit:postgres-13.rdkit-2021.03 (new)* chembience/postgres-rdkit:postgres-13.rdkit-2020.09 chembience/postgres-rdkit:postgres-12.rdkit-2020.03 chembience/postgres-rdkit:postgres-11.rdkit-2019.09 Best, Markus On Mon, Mar 8, 2021 at 8:49 AM Greg Landrum wrote: > That's really cool, thanks Markus! > > On Sat, Mar 6, 2021 at 7:34 PM Markus Sitzmann > wrote: > >> Hello, >> >> I have reworked the Postgres RDKit extension module of Chembience and >> made it a spin-off project of its own which is available at: >> >> https://github.com/chembience/docker-postgres-rdkit-compile >> >> It is now based on a fork of the Official Postgres Docker Image >> repository at GitHub just adding the compilation of the RDKit extension >> module to it. It allows for local compilation of the package, however, I >> also provide ready-to-pull Docker images at DockerHub of it. Currently >> available by docker pull are (they all are usable independently of any >> Chembience setup) : >> >> chembience/postgres-rdkit:postgres-13.rdkit-2020.09 >> chembience/postgres-rdkit:postgres-12.rdkit-2020.03 >> chembience/postgres-rdkit:postgres-11.rdkit-2019.09 >> >> My plan is to keep this project up-to-date if newer versions of RDKit or >> Postgres are released. >> >> I also have updated Chembience https://github.com/chembience/chembience >> to version 0.2.18 last week. This is mostly an upgrade to RDKit 2020.09 >> (before it becomes the "old" version) and Postgres 13 and relies already on >> the project above. >> >> Best. >> Markus >> >> ___ >> Rdkit-discuss mailing list >> Rdkit-discuss@lists.sourceforge.net >> https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >> > ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
Re: [Rdkit-discuss] Chembience Postgres RDKit extension
That's really cool, thanks Markus! On Sat, Mar 6, 2021 at 7:34 PM Markus Sitzmann wrote: > Hello, > > I have reworked the Postgres RDKit extension module of Chembience and made > it a spin-off project of its own which is available at: > > https://github.com/chembience/docker-postgres-rdkit-compile > > It is now based on a fork of the Official Postgres Docker Image repository > at GitHub just adding the compilation of the RDKit extension module to it. > It allows for local compilation of the package, however, I also provide > ready-to-pull Docker images at DockerHub of it. Currently available by > docker pull are (they all are usable independently of any Chembience setup) > : > > chembience/postgres-rdkit:postgres-13.rdkit-2020.09 > chembience/postgres-rdkit:postgres-12.rdkit-2020.03 > chembience/postgres-rdkit:postgres-11.rdkit-2019.09 > > My plan is to keep this project up-to-date if newer versions of RDKit or > Postgres are released. > > I also have updated Chembience https://github.com/chembience/chembience > to version 0.2.18 last week. This is mostly an upgrade to RDKit 2020.09 > (before it becomes the "old" version) and Postgres 13 and relies already on > the project above. > > Best. > Markus > > ___ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss > ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
[Rdkit-discuss] Chembience Postgres RDKit extension
Hello, I have reworked the Postgres RDKit extension module of Chembience and made it a spin-off project of its own which is available at: https://github.com/chembience/docker-postgres-rdkit-compile It is now based on a fork of the Official Postgres Docker Image repository at GitHub just adding the compilation of the RDKit extension module to it. It allows for local compilation of the package, however, I also provide ready-to-pull Docker images at DockerHub of it. Currently available by docker pull are (they all are usable independently of any Chembience setup) : chembience/postgres-rdkit:postgres-13.rdkit-2020.09 chembience/postgres-rdkit:postgres-12.rdkit-2020.03 chembience/postgres-rdkit:postgres-11.rdkit-2019.09 My plan is to keep this project up-to-date if newer versions of RDKit or Postgres are released. I also have updated Chembience https://github.com/chembience/chembience to version 0.2.18 last week. This is mostly an upgrade to RDKit 2020.09 (before it becomes the "old" version) and Postgres 13 and relies already on the project above. Best. Markus ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
