Hi there:
Setup:
Rdkit: RDKit_2010_12_1
OS: CentOS release 5.4 (Final) (Linux xxx 2.6.18-164.6.1.el5xen #1 SMP Tue
Nov 3 16:48:13 EST 2009 x86_64 x86_64 x86_64 GNU/Linux)
Boost: 1.42.0
Python 2.7
Numpy: Installed using yum install numpy scipy
Output:
-- The C compiler identification is GNU
-- The CXX compiler identification is GNU
-- Check for working C compiler: /usr/bin/gcc
-- Check for working C compiler: /usr/bin/gcc -- works
-- Detecting C compiler ABI info
-- Detecting C compiler ABI info - done
-- Check for working CXX compiler: /usr/bin/c++
-- Check for working CXX compiler: /usr/bin/c++ -- works
-- Detecting CXX compiler ABI info
-- Detecting CXX compiler ABI info - done
-- Found PythonLibs: /usr/local/lib/libpython2.7.a
-- Found PythonInterp: /usr/local/bin/python2.7
-- Boost version: 1.42.0
-- Found the following Boost libraries:
-- python
-- Found BISON: /usr/bin/bison
-- Found FLEX: /usr/bin/flex
-- Boost version: 1.42.0
-- Found the following Boost libraries:
-- regex
CMake Error: The following variables are used in this project, but they are
set to NOTFOUND.
Please set them or make sure they are set and tested correctly in the CMake
files:
PYTHON_NUMPY_INCLUDE_PATH
used as include directory in directory /export/apps/RDKit_2010_12_1
used as include directory in directory
/export/apps/RDKit_2010_12_1/External
used as include directory in directory
/export/apps/RDKit_2010_12_1/External/cmim-1.0
used as include directory in directory /export/apps/RDKit_2010_12_1/Code
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/RDGeneral
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/RDBoost
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/RDBoost/Wrap
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/DataStructs
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/DataStructs/Wrap
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/Geometry
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/Geometry/Wrap
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/Numerics
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/Numerics/Alignment
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/Numerics/Alignment/Wrap
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/Numerics/EigenSolvers
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/Numerics/Optimizer
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/ForceField
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/ForceField/Wrap
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/DistGeom
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/DistGeom/Wrap
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/Catalogs
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/GraphMol
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/GraphMol/Depictor
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/GraphMol/Depictor/Wrap
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/GraphMol/SmilesParse
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/GraphMol/FileParsers
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/GraphMol/Substruct
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/GraphMol/ChemReactions
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/GraphMol/ChemReactions/Wrap
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/GraphMol/ChemTransforms
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/GraphMol/Subgraphs
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/GraphMol/FragCatalog
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/GraphMol/FragCatalog/Wrap
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/GraphMol/Descriptors
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/GraphMol/Descriptors/Wrap
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/GraphMol/Fingerprints
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/GraphMol/PartialCharges
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/GraphMol/PartialCharges/Wrap
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/GraphMol/MolTransforms
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/GraphMol/MolTransforms/Wrap
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/GraphMol/ForceFieldHelpers
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/GraphMol/ForceFieldHelpers/UFF
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/GraphMol/ForceFieldHelpers/Wrap
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/GraphMol/DistGeomHelpers
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/GraphMol/DistGeomHelpers/Wrap
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/GraphMol/MolAlign
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/GraphMol/MolAlign/Wrap
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/GraphMol/MolChemicalFeatures
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/GraphMol/MolChemicalFeatures/Wrap
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/GraphMol/ShapeHelpers
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/GraphMol/ShapeHelpers/Wrap
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/GraphMol/MolCatalog
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/GraphMol/MolCatalog/Wrap
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/GraphMol/SLNParse
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/GraphMol/SLNParse/Wrap
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/GraphMol/Wrap
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/Query
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/DataManip
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/DataManip/MetricMatrixCalc
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/DataManip/MetricMatrixCalc/Wrap
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/SimDivPickers
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/SimDivPickers/Wrap
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/ML
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/ML/Cluster
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/ML/Cluster/Murtagh
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/ML/FeatureSelect
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/ML/FeatureSelect/Wrap
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/ML/InfoTheory
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/ML/InfoTheory/Wrap
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/ML/Data
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/ChemicalFeatures
used as include directory in directory
/export/apps/RDKit_2010_12_1/Code/ChemicalFeatures/Wrap
used as include directory in directory
/export/apps/RDKit_2010_12_1/Projects
used as include directory in directory /export/apps/RDKit_2010_12_1/rdkit
-- Configuring incomplete, errors occurred!
Can anyone shed some light on this?
Further question - should all the cmake/build commands be run as root?
Many Thanks
JP
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