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@radusuciu radusuciu released this 07 Sep 04:22
· 2 commits to main since this release
7947df3

The first versioned release. Before it, every image build produced a GitHub
release named after the image tag, and each (PostgreSQL, RDKit) pair lived on
its own branch. Those releases and branches remain but are no longer updated.
Image tag names are unchanged: postgres-<pg_point>-rdkit-<rdkit> still
pins a build.

Added

  • Moving tags: postgres-<pg_major>-rdkit-<rdkit> follows the current point release of that major, and latest follows the newest (RDKit, PostgreSQL) pair (#21)
  • The build matrix is declared in versions.json: PostgreSQL 14 to 18 with RDKit 2025_09_6 and 2026_03_6, on Debian bookworm
  • Provenance labels on every image, including org.rdkit.pickle-version, the client/server compatibility contract
  • A PostgreSQL-independent RDKit build, Dockerfile.rdkit-core, shared across majors and published to GHCR as rdkit-core:<rdkit>-<suite>
  • make targets for building, testing and smoke-testing any pair locally, and a script test suite that runs in CI before anything builds
  • The README version table is regenerated daily from versions.json

Changed

  • Breaking: the Dockerfile takes rdkit_version (for example 2026_03_6) instead of rdkit_git_ref, and postgres_image_version is replaced by postgres_base_image
  • Breaking: there is no boost_version build argument; the Boost package family comes from Debian and is chosen from the floor RDKit declares in its own source
  • Every pair is built from main by a single daily workflow that skips tags already published, instead of one branch per pair
  • The runtime image installs exactly the shared libraries the cartridge links, derived from ldd at build time
  • RDKit is configured with RDK_BUILD_CHEMDRAW_SUPPORT=OFF and an InChI include path, both needed by 2025_09 and later releases

Removed

  • Per-image GitHub releases. Releases now mark changes to this project; new images are listed in the README table and on the GHCR package page