Commit Graph

6 Commits

Author SHA1 Message Date
Ricardo Rodriguez
7b7a8a4e17 Refactor iostreams includes (#8846)
* refactor iostreams includes

* restore ostream to MonomerInfo.cpp
2025-10-08 16:08:01 +02:00
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
0147cd8201 Fixes #5210 (#5408)
* revert duplicate chunk in release notes

* replace deprecated ifdefs
This one gets rid of USE_BUILTIN_POPCNT and RDK_THREADSAFE_SS
use RDK_OPTIMIZE_POPCNT or RDK_BUILD_THREADSAFE_SSS instead

* get rid of BUILD_COORDGEN_SUPPORT from ROMol.i

* fix a stupid typo

* update release notes
2022-07-11 11:20:03 +02:00
Greg Landrum
594c58f86c make the catch tests build faster (#5284)
* reorg the catch tests
the goal here is to make the builds faster

* make that easier
2022-05-17 04:39:33 +02:00
Eisuke Kawashima
b9a5be5a2d miscellaneous updates (#4284)
* Remove accidentally tracked files and unset x flag

* Ignore ComicNeue

* Unify test tag to `reader`

* Trivial destructors

* Bump CMAKE_CXX_STANDARD to 14 (#4165)
2021-07-13 06:57:29 +02:00
Greg Landrum
6cfc8f36a7 [WIP] Add Leader picker implementation (#2724)
* initial commit of Roger's contrib

* add the new file to the headers list

* clang-format

* stub of the python wrapper

* code added for testing

* code added for testing

* add LeaderPicker.seq.h

* default pickSize value

* first crude python wrapper

* Add C++ tests for the LeaderPicker
combine the thread and non-thread versions

* that was not really a test

* support providing a functor from Python

* no longer need the .seq header

* temporarily disable the threaded version to allow CI runs to pass

* some refactoring and cleanup
2019-10-24 13:14:15 +02:00