`--enable-booth_graph` fails with compilation error

[jhgoebbert]

Building the current code with --enable-booth_graph and Boost 1.86.0 fails with

DFSClustering.cpp: In member function virtual void PLMD::clusters::DFSClustering::performClustering():
DFSClustering.cpp:107:3: error: retrieveEdgeList was not declared in this scope; did you mean retrieveAdjacencyLists?
  107 |   retrieveEdgeList( 0, nedges );
      |   ^~~~~~~~~~~~~~~~
      |   retrieveAdjacencyLists
DFSClustering.cpp:110:73: error: std::vector<std::pair<unsigned int, unsigned int> > PLMD::matrixtools::MatrixOperationBase::pairs is private within this context
  110 |   boost::adjacency_list<boost::vecS,boost::vecS,boost::undirectedS> sg(&pairs[0],&pairs[nedges],getNumberOfNodes());
      |                                                                         ^~~~~
matrixtools/../../matrixtools/MatrixOperationBase.h:38:46: note: declared private here
   38 |   std::vector<std::pair<unsigned,unsigned> > pairs;
      |                                              ^~~~~
DFSClustering.cpp:110:83: error: std::vector<std::pair<unsigned int, unsigned int> > PLMD::matrixtools::MatrixOperationBase::pairs is private within this context
  110 |   boost::adjacency_list<boost::vecS,boost::vecS,boost::undirectedS> sg(&pairs[0],&pairs[nedges],getNumberOfNodes());
      |                                                                                   ^~~~~

[ostueker]

I see the same when trying to compile PLUMED 2.10.0 (albeit with Boost 1.85.0):

compiling  DFSClustering.cpp
DFSClustering.cpp: In member function ‘virtual void PLMD::clusters::DFSClustering::performClustering()’:
DFSClustering.cpp:115:3: error: ‘retrieveEdgeList’ was not declared in this scope; did you mean ‘retrieveAdjacencyLists’?
  115 |   retrieveEdgeList( 0, nedges );
      |   ^~~~~~~~~~~~~~~~
      |   retrieveAdjacencyLists
DFSClustering.cpp:118:73: error: ‘std::vector<std::pair<unsigned int, unsigned int> > PLMD::matrixtools::MatrixOperationBase::pairs’ is private within this context
  118 |   boost::adjacency_list<boost::vecS,boost::vecS,boost::undirectedS> sg(&pairs[0],&pairs[nedges],getNumberOfNodes());
      |                                                                         ^~~~~
In file included from matrixtools/MatrixOperationBase.h:1,
                 from ClusteringBase.h:25,
                 from DFSClustering.cpp:22:
matrixtools/../../matrixtools/MatrixOperationBase.h:38:46: note: declared private here
   38 |   std::vector<std::pair<unsigned,unsigned> > pairs;
      |                                              ^~~~~
DFSClustering.cpp:118:83: error: ‘std::vector<std::pair<unsigned int, unsigned int> > PLMD::matrixtools::MatrixOperationBase::pairs’ is private within this context
  118 |   boost::adjacency_list<boost::vecS,boost::vecS,boost::undirectedS> sg(&pairs[0],&pairs[nedges],getNumberOfNodes());
      |                                                                                   ^~~~~
matrixtools/../../matrixtools/MatrixOperationBase.h:38:46: note: declared private here
   38 |   std::vector<std::pair<unsigned,unsigned> > pairs;
      |                                              ^~~~~
make[6]: *** [../maketools/make.rules:21: DFSClustering.o] Error 1

[ostueker]

Indeed, not using --enable-boost_graph lets me build PLUMED 2.10.0.

This is not related to the version of Boost (I've tried with 1.82.0 and 1.85.0)
and building with --enable-boost_graph worked with PLUMED 2.9.4 just last week, so this bug must have been introduced on the 2.10 branch.

[GiovanniBussi]

@gtribello @Iximiel could you cross check this? It seems like boost graph is not enabled in our CI, and indeed that part of the code is not tested.

Is this something that should have been removed?

[GiovanniBussi]

From what I see in the code the boost version is not necessary, and there is an explicit implementation. Maybe we can simply remove all the boost graph related code here

[Iximiel]

I reproduced the problem on the CI, in my fork https://github.com/Iximiel/plumed2/actions/runs/17852175925/. I was hoping in a boost version problem, but by looking at the error it may be a conflict with the new changes in the internal API with the PTM