pub_soft/rdkit
3
0
Fork 0
mirror of https://github.com/rdkit/rdkit.git synced 2026-06-03 21:44:30 +08:00
Code Issues Packages Projects Releases Wiki Activity

switch to C++20 (#8039)

Browse Source 
* c++20 builds working

* get MolStandardize building with clang19

* get FMCS building with clang-19

* set cxx version to c++20

* remove a few more compiler warnings

* bump min boost version, CI cleanup

* boost 1.81 is not available from conda-forge

* remove unused constants

* bump linux version for CI

* remove another unused variable

* fix (hopefully) cartridge CI builds

* simplify cartridge environment

* try postgresql14 in CI

* start the postgresql service

* change the columns used in the pandastools nbtest

* remove missed merge conflict artifact

* get github4823 test to pass with numpy 2.2

* remove a compiler warning/error with g++13
This commit is contained in:
Greg Landrum
2025-04-09 11:57:17 +02:00
committed by GitHub
parent d3f75a115f
commit 8eb02b8bed
15 changed files with 215 additions and 143 deletions
Download Patch File Download Diff File Expand all files Collapse all files

4
External/YAeHMOP/EHTTools.cpp vendored
View File

@@ -18,10 +18,6 @@ extern "C" {
namespace RDKit {
namespace EHTTools {
const std::string _EHTCharge = "_EHTCharge";
const std::string _EHTMullikenOP = "_EHTMullikenOP";
const std::string _EHTChargeMatrix = "_EHTChargeMatrix";
// we should only call into the C code, which uses tons of globals, from one
// thread at a time. This mutex enforces that.
#ifdef RDK_BUILD_THREADSAFE_SSS