Commit Graph

5 Commits

Author SHA1 Message Date
Greg Landrum
8892fb160a Fix minimal build, allow building without boost::serialization (#6932)
* make sure that we can build without boost iostreams or seralization

adds some "private" variables on the python side to check for these compilation flags

* get out minimal cmake version correct

* get minimallib js building

installs an up-to-date cmake
also updates the version of boost being used for the minimallib
adds extra argument to allow the repo to be specified
2023-11-23 05:57:05 +01:00
Greg Landrum
2957ab4576 switch to catch2 v3 (#6898)
* switch to catch2 v3
Fixes #6894

* fix a couple of problems noticed in the CI builds

* more warning cleanup

* changes in response to review
2023-11-15 06:45:42 +01:00
Greg Landrum
908e47cc03 support generalized substructure search in the SubstructLibrary (#6835)
* support generalized substructure search in the SubstructLibrary

* simplify namespaces

* support the new functionality in the swig wrappers

* update mac swig version in CI

* ensure swig4

* switch mac_java ci builds to conda-forge

* change in response to review

* add copy ctor to extendedquerymol

* Back to the way it was
2023-11-01 14:55:28 -04:00
Greg Landrum
3193b76d8c cleanup some compiler warnings (#4521)
* cleanup some clang warnings

* get rid of some VC++ warnings
2021-09-16 04:34:40 +02:00
Greg Landrum
e21c39dcb3 SubstructLibrary improvements (#4403)
* support MolBundles in the SubstructLibrary

* support SubstructMatchParameters in SubstructLibrary

* expose those methods to the python wrapper

* fix non-threadsafe build problem

* be explicit about sorting

* add the option to set the search order

* add example functions for setting the search order
2021-08-24 05:02:41 +02:00