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Fixes #5210 (#5408)

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* 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
This commit is contained in:
Greg Landrum
2022-07-11 11:20:03 +02:00
committed by GitHub
parent 30547e4451
commit 0147cd8201
50 changed files with 131 additions and 6628 deletions
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4
Code/GraphMol/SubstructLibrary/SubstructLibrary.cpp
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@@ -32,7 +32,7 @@
//
#include "SubstructLibrary.h"
#include <RDGeneral/RDThreads.h>
#ifdef RDK_THREADSAFE_SSS
#ifdef RDK_BUILD_THREADSAFE_SSS
#include <thread>
#include <future>
#endif
@@ -216,7 +216,7 @@ int internalGetMatches(const Query &query, MolHolderBase &mols,
Bits bits(fps, query, params);
int counter = 0;
#ifdef RDK_THREADSAFE_SSS
#ifdef RDK_BUILD_THREADSAFE_SSS
if (numThreads > 1) {
std::vector<int> counterVect(numThreads, 0);
int maxResultsPerThread = maxResults;