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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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10
Code/DataStructs/MultiFPBReader.cpp
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@@ -12,7 +12,7 @@
#include <RDGeneral/Invariant.h>
#include <RDGeneral/RDThreads.h>
#ifdef RDK_THREADSAFE_SSS
#ifdef RDK_BUILD_THREADSAFE_SSS
#include <thread>
#include <future>
#endif
@@ -101,13 +101,13 @@ void generic_nbr_helper(std::vector<MultiFPBReader::ResultTuple> &res, T func,
res.clear();
res.resize(0);
numThreads = getNumThreadsToUse(numThreads);
#ifdef RDK_THREADSAFE_SSS
#ifdef RDK_BUILD_THREADSAFE_SSS
std::vector<std::future<void>> tg;
#endif
if (numThreads == 1) {
func(0, 1, &args);
}
#ifdef RDK_THREADSAFE_SSS
#ifdef RDK_BUILD_THREADSAFE_SSS
else {
for (unsigned int tid = 0; tid < numThreads && tid < args.readers.size();
++tid) {
@@ -163,7 +163,7 @@ void get_containing_nbrs(
std::vector<std::pair<unsigned int, unsigned int>> &res,
unsigned int numThreads, bool initOnSearch) {
numThreads = getNumThreadsToUse(numThreads);
#ifdef RDK_THREADSAFE_SSS
#ifdef RDK_BUILD_THREADSAFE_SSS
std::vector<std::future<void>> tg;
#endif
@@ -171,7 +171,7 @@ void get_containing_nbrs(
if (numThreads == 1) {
contain_helper(0, 1, bv, &d_readers, &accum, initOnSearch);
}
#ifdef RDK_THREADSAFE_SSS
#ifdef RDK_BUILD_THREADSAFE_SSS
else {
for (unsigned int tid = 0; tid < numThreads && tid < d_readers.size();
++tid) {