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Comparing branches/development/CMakeLists.txt (file contents):
Revision 1731 by gezelter, Thu May 31 12:25:30 2012 UTC vs.
Revision 1743 by gezelter, Tue Jun 5 18:04:02 2012 UTC

# Line 88 | Line 88 | ENDIF(OPENBABEL2_FOUND)
88    MESSAGE(STATUS "No OpenBabel found - will not build atom2md")
89   ENDIF(OPENBABEL2_FOUND)
90  
91 + find_package(Eigen3)
92 + if(EIGEN3_FOUND)
93 +  add_definitions(-DHAVE_EIGEN -DHAVE_EIGEN3)
94 +  include_directories(${EIGEN3_INCLUDE_DIR})
95 + else()
96 +  find_package(Eigen2) # find and setup Eigen2
97 +  if(EIGEN2_FOUND)
98 +    add_definitions (-DHAVE_EIGEN)
99 +    include_directories(${EIGEN2_INCLUDE_DIR})
100 +  endif()
101 + endif()
102 +
103   #Look for QHULL Libraries
104   set(QHULL_USE_STATIC 1)
105   find_package(Qhull)
# Line 219 | Line 231 | src/integrators/DLM.cpp
231   src/hydrodynamics/HydroProp.cpp
232   src/hydrodynamics/Sphere.cpp
233   src/integrators/DLM.cpp
234 + src/flucq/FluctuatingChargeParameters.cpp
235   src/flucq/FluctuatingChargeNVT.cpp
236 + src/flucq/FluctuatingChargePropagator.cpp
237   src/integrators/Integrator.cpp
238   src/integrators/IntegratorFactory.cpp
239   src/integrators/LangevinDynamics.cpp
# Line 280 | Line 294 | src/mdParser/MDTreeParser.cpp
294   src/mdParser/MDLexer.cpp
295   src/mdParser/MDParser.cpp
296   src/mdParser/MDTreeParser.cpp
297 < src/minimizers/MinimizerFactory.cpp
298 < src/minimizers/MinimizerParameterSet.cpp
297 > src/optimization/OptimizationFactory.cpp
298 > src/optimization/Armijo.cpp
299 > src/optimization/BFGS.cpp
300 > src/optimization/ConjugateGradient.cpp
301 > src/optimization/Constraint.cpp
302 > src/optimization/EndCriteria.cpp
303 > src/optimization/LineSearch.cpp
304 > src/optimization/LineSearchBasedMethod.cpp
305 > src/optimization/SteepestDescent.cpp
306 > src/optimization/PotentialEnergyObjectiveFunction.cpp
307   src/nonbonded/EAM.cpp
308   src/nonbonded/Electrostatic.cpp
309   src/nonbonded/GB.cpp
# Line 359 | Line 381 | src/visitors/ZconsVisitor.cpp
381   src/visitors/ReplacementVisitor.cpp
382   src/visitors/RigidBodyVisitor.cpp
383   src/visitors/ZconsVisitor.cpp
362 – src/flucq/FluctuatingChargeParameters.cpp
384   src/rnemd/RNEMDParameters.cpp
385   )
386  
# Line 369 | Line 390 | src/constraints/ZconstraintForceManager.cpp
390   src/brains/SimInfo.cpp
391   src/brains/Thermo.cpp
392   src/constraints/ZconstraintForceManager.cpp
393 < src/flucq/FluctuatingChargePropagator.cpp
393 > src/flucq/FluctuatingChargeConstraints.cpp
394 > src/flucq/FluctuatingChargeObjectiveFunction.cpp
395   src/integrators/LangevinHullForceManager.cpp
396   src/rnemd/RNEMD.cpp
397   src/integrators/Velocitizer.cpp
# Line 381 | Line 403 | src/math/ParallelRandNumGen.cpp
403   src/io/ZConsWriter.cpp
404   src/io/ifstrstream.cpp
405   src/math/ParallelRandNumGen.cpp
384 – src/minimizers/CGFamilyMinimizer.cpp
385 – src/minimizers/Minimizer.cpp
386 – src/minimizers/PRCG.cpp
387 – src/minimizers/SDMinimizer.cpp
406   src/parallel/ForceDecomposition.cpp
407   src/parallel/ForceMatrixDecomposition.cpp
408   src/restraints/RestraintForceManager.cpp
409   src/restraints/ThermoIntegrationForceManager.cpp
410   src/utils/ProgressBar.cpp
411   src/utils/simError.cpp
412 + src/optimization/Problem.cpp
413   )
414  
415   IF(QHULL_FOUND)

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