Dear Greg,
Thanks for your help.
I have this:
[root@Pc-Eric-linux build]# python -c 'from rdkit import rdBase'
Traceback (most recent call last):
File "<string>", line 1, in <module>
ImportError: libboost_python.so.1.55.0: cannot open shared object
file: No such file or directory
[root@Pc-Eric-linux build]#
and
[root@Pc-Eric-linux build]# ldd $RDBASE/rdkit/rdBase.so
linux-vdso.so.1 => (0x00007fffe57ff000)
libRDGeneral.so.1 => /opt/RDKit/RDKit_2014_03_1/lib/libRDGeneral.so.1
(0x00007ff4d1392000)
libRDBoost.so.1 => /opt/RDKit/RDKit_2014_03_1/lib/libRDBoost.so.1
(0x00007ff4d0fc6000)
libboost_python.so.1.55.0 => not found
libstdc++.so.6 => /usr/lib64/libstdc++.so.6 (0x00007ff4d0cae000)
libm.so.6 => /opt/anaconda/lib/libm.so.6 (0x00007ff4d0a2a000)
libgcc_s.so.1 => /lib64/libgcc_s.so.1 (0x00007ff4d0814000)
libc.so.6 => /lib64/libc.so.6 (0x00007ff4d0480000)
/lib64/ld-linux-x86-64.so.2 (0x0000003148e00000)
libboost_python.so.1.55.0 => not found
[root@Pc-Eric-linux build]#
What do you think?
Thanks
Enrico
Greg Landrum <[email protected]> a écrit :
> given that the failures are all for python tests, I guess you don't have
> your PYTHONPATH set properly or that there's an LD_LIBRARY_PATH problem.
>
> What do you get when you run these two commands?
>
> python -c 'from rdkit import rdBase'
>
> ldd $RDBASE/rdkit/rdBase.so
>
>
> -greg
>
>
>
>
>
> -greg
>
>
>
> On Mon, Jul 28, 2014 at 12:13 PM, Enrico Perspicace <
> [email protected]> wrote:
>
>> Dear Christos,
>>
>> I'm back... So I upgraded my old Centos with Centos 6.5 and I updated it.
>> I installed all packages needed as recommended on RDKit website
>> followed by anaconda environment (which include Numpy) as you did.
>> Now, I get no errors up to the test of the compilation of RDKit.
>> Indeed, compilation of RDKit worked but now, after ctest I have some
>> fails...
>>
>> I did first:
>> [root@Pc-Eric-linux build]# cmake -D
>> PYTHON_LIBRARY=/opt/anaconda/lib/python2.7/config/libpython2.7.a -D
>> PYTHON_INCLUDE_DIR=/opt/anaconda/include/python2.7/ -D
>> PYTHON_EXECUTABLE=/opt/anaconda/bin/python2.7 -D
>> BOOST_ROOT=/opt/boost/boost_1_55_0 ..
>> -- The C compiler identification is GNU 4.4.7
>> -- The CXX compiler identification is GNU 4.4.7
>> -- Check for working C compiler: /usr/bin/cc
>> -- Check for working C compiler: /usr/bin/cc -- 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
>> -- Check if the system is big endian
>> -- Searching 16 bit integer
>> -- Looking for sys/types.h
>> -- Looking for sys/types.h - found
>> -- Looking for stdint.h
>> -- Looking for stdint.h - found
>> -- Looking for stddef.h
>> -- Looking for stddef.h - found
>> -- Check size of unsigned short
>> -- Check size of unsigned short - done
>> -- Using unsigned short
>> -- Check if the system is big endian - little endian
>> -- Found PythonLibs: /opt/anaconda/lib/python2.7/config/libpython2.7.a
>> (found version "2.7.7")
>> -- Found PythonInterp: /opt/anaconda/bin/python2.7 (found version "2.7.7")
>> -- Boost version: 1.55.0
>> -- Found the following Boost libraries:
>> -- python
>> -- Looking for include file pthread.h
>> -- Looking for include file pthread.h - found
>> -- Looking for pthread_create
>> -- Looking for pthread_create - not found
>> -- Looking for pthread_create in pthreads
>> -- Looking for pthread_create in pthreads - not found
>> -- Looking for pthread_create in pthread
>> -- Looking for pthread_create in pthread - found
>> -- Found Threads: TRUE
>> -- Boost version: 1.55.0
>> -- Found the following Boost libraries:
>> -- regex
>> -- Configuring done
>> -- Generating done
>> -- Build files have been written to: /opt/RDKit/RDKit_2014_03_1/build
>> [root@Pc-Eric-linux build]#
>>
>> Then
>>
>> [root@Pc-Eric-linux build]# make
>> [root@Pc-Eric-linux build]# make install
>>
>> RDKit is compiling correctly withour errors. I just had sometimes this
>> warning:
>>
>> [ 46%] Building CXX object
>> Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/DataStructs.cpp.o
>> Dans le fichier inclus à partir de
>>
>> /opt/anaconda/lib/python2.7/site-packages/numpy/core/include/numpy/ndarraytypes.h:1761,
>> à partir de
>>
>> /opt/anaconda/lib/python2.7/site-packages/numpy/core/include/numpy/ndarrayobject.h:17,
>> à partir de
>>
>> /opt/anaconda/lib/python2.7/site-packages/numpy/core/include/numpy/arrayobject.h:4,
>> à partir de
>> /opt/RDKit/RDKit_2014_03_1/Code/DataStructs/Wrap/DataStructs.cpp:20:
>> /opt/anaconda/lib/python2.7/site-packages/numpy/core/include/numpy/npy_1_7_deprecated_api.h:15:2:
>> attention : #warning "Using deprecated NumPy API, disable it by "
>> "#defining NPY_NO_DEPRECATED_API
>> NPY_1_7_API_VERSION"
>>
>> Finally, I ran ctest:
>>
>> [root@Pc-Eric-linux build]# ctest
>>
>> And I got:
>>
>> Test project /opt/RDKit/RDKit_2014_03_1/build
>> Start 1: testDict
>> 1/78 Test #1: testDict ......................... Passed 0.03 sec
>> Start 2: testDataStructs
>> 2/78 Test #2: testDataStructs .................. Passed 0.01 sec
>> Start 3: pyBV
>> 3/78 Test #3: pyBV .............................***Failed 0.02 sec
>> Start 4: pyDiscreteValueVect
>> 4/78 Test #4: pyDiscreteValueVect ..............***Failed 0.03 sec
>> Start 5: pySparseIntVect
>> 5/78 Test #5: pySparseIntVect ..................***Failed 0.03 sec
>> Start 6: testTransforms
>> 6/78 Test #6: testTransforms ................... Passed 0.01 sec
>> Start 7: testGrid
>> 7/78 Test #7: testGrid ......................... Passed 0.03 sec
>> Start 8: testPyGeometry
>> 8/78 Test #8: testPyGeometry ...................***Failed 0.04 sec
>> Start 9: testMatrices
>> 9/78 Test #9: testMatrices ..................... Passed 0.00 sec
>> Start 10: testAlignment
>> 10/78 Test #10: testAlignment .................... Passed 0.00 sec
>> Start 11: pyAlignment
>> 11/78 Test #11: pyAlignment ......................***Failed 0.02 sec
>> Start 12: testOptimizer
>> 12/78 Test #12: testOptimizer .................... Passed 0.01 sec
>> Start 13: testUFFForceField
>> 13/78 Test #13: testUFFForceField ................ Passed 0.05 sec
>> Start 14: testMMFFForceField
>> 14/78 Test #14: testMMFFForceField ............... Passed 17.79 sec
>> Start 15: pyForceFieldConstraints
>> 15/78 Test #15: pyForceFieldConstraints ..........***Failed 0.03 sec
>> Start 16: testDistGeom
>> 16/78 Test #16: testDistGeom ..................... Passed 0.00 sec
>> Start 17: pyDistGeom
>> 17/78 Test #17: pyDistGeom .......................***Failed 0.10 sec
>> Start 18: graphmolTest1
>> 18/78 Test #18: graphmolTest1 .................... Passed 0.14 sec
>> Start 19: graphmolcpTest
>> 19/78 Test #19: graphmolcpTest ................... Passed 0.02 sec
>> Start 20: graphmolqueryTest
>> 20/78 Test #20: graphmolqueryTest ................ Passed 0.02 sec
>> Start 21: graphmolMolOpsTest
>> 21/78 Test #21: graphmolMolOpsTest ............... Passed 1.81 sec
>> Start 22: graphmoltestCanon
>> 22/78 Test #22: graphmoltestCanon ................ Passed 0.00 sec
>> Start 23: graphmoltestChirality
>> 23/78 Test #23: graphmoltestChirality ............ Passed 0.04 sec
>> Start 24: graphmoltestPickler
>> 24/78 Test #24: graphmoltestPickler .............. Passed 0.37 sec
>> Start 25: graphmolIterTest
>> 25/78 Test #25: graphmolIterTest ................. Passed 0.02 sec
>> Start 26: testDepictor
>> 26/78 Test #26: testDepictor ..................... Passed 0.41 sec
>> Start 27: pyDepictor
>> 27/78 Test #27: pyDepictor .......................***Failed 0.02 sec
>> Start 28: smiTest1
>> 28/78 Test #28: smiTest1 ......................... Passed 0.27 sec
>> Start 29: smaTest1
>> 29/78 Test #29: smaTest1 ......................... Passed 1.39 sec
>> Start 30: fileParsersTest1
>> 30/78 Test #30: fileParsersTest1 ................. Passed 7.46 sec
>> Start 31: testMolSupplier
>> 31/78 Test #31: testMolSupplier .................. Passed 0.18 sec
>> Start 32: testMolWriter
>> 32/78 Test #32: testMolWriter .................... Passed 0.41 sec
>> Start 33: testTplParser
>> 33/78 Test #33: testTplParser .................... Passed 0.02 sec
>> Start 34: testMol2ToMol
>> 34/78 Test #34: testMol2ToMol .................... Passed 0.02 sec
>> Start 35: testSubstructMatch
>> 35/78 Test #35: testSubstructMatch ............... Passed 0.02 sec
>> Start 36: testReaction
>> 36/78 Test #36: testReaction ..................... Passed 0.08 sec
>> Start 37: pyChemReactions
>> 37/78 Test #37: pyChemReactions ..................***Failed 0.02 sec
>> Start 38: testChemTransforms
>> 38/78 Test #38: testChemTransforms ............... Passed 0.07 sec
>> Start 39: testSubgraphs1
>> 39/78 Test #39: testSubgraphs1 ................... Passed 0.37 sec
>> Start 40: testSubgraphs2
>> 40/78 Test #40: testSubgraphs2 ................... Passed 0.02 sec
>> Start 41: testFragCatalog
>> 41/78 Test #41: testFragCatalog .................. Passed 1.19 sec
>> Start 42: pyFragCatalog
>> 42/78 Test #42: pyFragCatalog ....................***Failed 0.03 sec
>> Start 43: testDescriptors
>> 43/78 Test #43: testDescriptors .................. Passed 0.24 sec
>> Start 44: pyMolDescriptors
>> 44/78 Test #44: pyMolDescriptors .................***Failed 0.02 sec
>> Start 45: testFingerprints
>> 45/78 Test #45: testFingerprints ................. Passed 0.20 sec
>> Start 46: pyPartialCharges
>> 46/78 Test #46: pyPartialCharges .................***Failed 0.02 sec
>> Start 47: testMolTransforms
>> 47/78 Test #47: testMolTransforms ................ Passed 0.02 sec
>> Start 48: pyMolTransforms
>> 48/78 Test #48: pyMolTransforms ..................***Failed 0.02 sec
>> Start 49: testMMFFForceFieldHelpers
>> 49/78 Test #49: testMMFFForceFieldHelpers ........ Passed 0.65 sec
>> Start 50: testUFFForceFieldHelpers
>> 50/78 Test #50: testUFFForceFieldHelpers ......... Passed 1.51 sec
>> Start 51: pyForceFieldHelpers
>> 51/78 Test #51: pyForceFieldHelpers ..............***Failed 0.02 sec
>> Start 52: testDistGeomHelpers
>> 52/78 Test #52: testDistGeomHelpers .............. Passed 0.89 sec
>> Start 53: pyDistGeom
>> 53/78 Test #53: pyDistGeom .......................***Failed 0.02 sec
>> Start 54: testMolAlign
>> 54/78 Test #54: testMolAlign ..................... Passed 3.97 sec
>> Start 55: pyMolAlign
>> 55/78 Test #55: pyMolAlign .......................***Failed 0.03 sec
>> Start 56: testFeatures
>> 56/78 Test #56: testFeatures ..................... Passed 0.02 sec
>> Start 57: pyChemicalFeatures
>> 57/78 Test #57: pyChemicalFeatures ...............***Failed 0.02 sec
>> Start 58: testShapeHelpers
>> 58/78 Test #58: testShapeHelpers ................. Passed 0.02 sec
>> Start 59: pyShapeHelpers
>> 59/78 Test #59: pyShapeHelpers ...................***Failed 0.03 sec
>> Start 60: testMolCatalog
>> 60/78 Test #60: testMolCatalog ................... Passed 0.02 sec
>> Start 61: pyMolCatalog
>> 61/78 Test #61: pyMolCatalog .....................***Failed 0.03 sec
>> Start 62: testSLNParse
>> 62/78 Test #62: testSLNParse ..................... Passed 0.03 sec
>> Start 63: pySLNParse
>> 63/78 Test #63: pySLNParse .......................***Failed 0.01 sec
>> Start 64: pyGraphMolWrap
>> 64/78 Test #64: pyGraphMolWrap ...................***Failed 0.04 sec
>> Start 65: pyTestConformerWrap
>> 65/78 Test #65: pyTestConformerWrap ..............***Failed 0.02 sec
>> Start 66: testQuery
>> 66/78 Test #66: testQuery ........................ Passed 0.00 sec
>> Start 67: testMatCalc
>> 67/78 Test #67: testMatCalc ...................... Passed 0.00 sec
>> Start 68: pyMatCalc
>> 68/78 Test #68: pyMatCalc ........................***Failed 0.03 sec
>> Start 69: pyRanker
>> 69/78 Test #69: pyRanker .........................***Failed 0.03 sec
>> Start 70: testChemicalFeatures
>> 70/78 Test #70: testChemicalFeatures ............. Passed 0.01 sec
>> Start 71: pyFeatures
>> 71/78 Test #71: pyFeatures .......................***Failed 0.02 sec
>> Start 72: pythonTestDbCLI
>> 72/78 Test #72: pythonTestDbCLI ..................***Failed 0.23 sec
>> Start 73: pythonTestDirML
>> 73/78 Test #73: pythonTestDirML ..................***Failed 3.34 sec
>> Start 74: pythonTestDirDataStructs
>> 74/78 Test #74: pythonTestDirDataStructs ......... Passed 0.02 sec
>> Start 75: pythonTestDirDbase
>> 75/78 Test #75: pythonTestDirDbase ............... Passed 0.02 sec
>> Start 76: pythonTestDirSimDivFilters
>> 76/78 Test #76: pythonTestDirSimDivFilters ....... Passed 0.02 sec
>> Start 77: pythonTestDirVLib
>> 77/78 Test #77: pythonTestDirVLib ................ Passed 0.01 sec
>> Start 78: pythonTestDirChem
>> 78/78 Test #78: pythonTestDirChem ................***Failed 2.26 sec
>>
>> 64% tests passed, 28 tests failed out of 78
>>
>> Total Test time (real) = 46.52 sec
>>
>> The following tests FAILED:
>> 3 - pyBV (Failed)
>> 4 - pyDiscreteValueVect (Failed)
>> 5 - pySparseIntVect (Failed)
>> 8 - testPyGeometry (Failed)
>> 11 - pyAlignment (Failed)
>> 15 - pyForceFieldConstraints (Failed)
>> 17 - pyDistGeom (Failed)
>> 27 - pyDepictor (Failed)
>> 37 - pyChemReactions (Failed)
>> 42 - pyFragCatalog (Failed)
>> 44 - pyMolDescriptors (Failed)
>> 46 - pyPartialCharges (Failed)
>> 48 - pyMolTransforms (Failed)
>> 51 - pyForceFieldHelpers (Failed)
>> 53 - pyDistGeom (Failed)
>> 55 - pyMolAlign (Failed)
>> 57 - pyChemicalFeatures (Failed)
>> 59 - pyShapeHelpers (Failed)
>> 61 - pyMolCatalog (Failed)
>> 63 - pySLNParse (Failed)
>> 64 - pyGraphMolWrap (Failed)
>> 65 - pyTestConformerWrap (Failed)
>> 68 - pyMatCalc (Failed)
>> 69 - pyRanker (Failed)
>> 71 - pyFeatures (Failed)
>> 72 - pythonTestDbCLI (Failed)
>> 73 - pythonTestDirML (Failed)
>> 78 - pythonTestDirChem (Failed)
>> Errors while running CTest
>> [root@Pc-Eric-linux build]#
>>
>> I set variables environment as follow:
>> export RDBASE=/opt/RDKit/RDKit_2013_09_2/
>> export LD_LIBRARY_PATH=$RDBASE/lib
>> export PYTHONPATH=$RDBASE
>>
>> What I did wrong?
>>
>> Do you have any idea?
>>
>> Thanks in advance for you reply.
>>
>> Best regards,
>>
>> Enrico
>>
>>
>>
>>
>> Enrico Perspicace <[email protected]> a écrit :
>>
>> > Dear Christos,
>> >
>> > Thanks for your reply.
>> > I already tried but it didn't work...
>> > I downloaded yesterday Centos 6.5 and I will install it.
>> > I hope to get less problem with this version as RDKit is available
>> > using rpm package.
>> > I will let you know if I will succeed or not ;-)
>> >
>> > Best regards,
>> >
>> > Enrico
>> >
>> >
>> > Christos Kannas <[email protected]> a écrit :
>> >
>> >> Enrico,
>> >>
>> >> According to Boost web site (
>> >>
>> http://www.boost.org/doc/libs/1_55_0/libs/log/doc/html/log/installation.html
>> )
>> >> it has been tested and working with gcc 4.5+.
>> >> Try to update your gcc and gcc-c++ to the latest versions available... I
>> >> know CentOS is not up to date...
>> >> At the moment I do not recall if I did any update to gcc.
>> >> I will get back to you on Monday for this, except if you are in a hurry
>> >> I'll go from the office tomorrow to check my dev machine.
>> >>
>> >> Best,
>> >>
>> >> Christos
>> >>
>> >> Christos Kannas
>> >>
>> >> Researcher
>> >> Ph.D Student
>> >>
>> >> Mob (UK): +44 (0) 7447700937
>> >> Mob (Cyprus): +357 99530608
>> >>
>> >> [image: View Christos Kannas's profile on LinkedIn]
>> >> <http://cy.linkedin.com/in/christoskannas>
>> >>
>> >>
>> >> On 24 July 2014 15:02, Enrico Perspicace <
>> [email protected]>
>> >> wrote:
>> >>
>> >>> Hi Christos,
>> >>>
>> >>> Thanks for your help.
>> >>>
>> >>> I tried what you said but I got an error with boost.
>> >>>
>> >>> I think the problem came from here...
>> >>>
>> >>> I use Canopy environment, it is like Anaconda which include Numpy and
>> it
>> >>> is detected when I did ./bootstrap.sh
>> >>>
>> >>> [root@eric-pc boost_1_55_0]# ./bootstrap.sh
>> --with-libraries=python,regex
>> >>> Building Boost.Build engine with toolset gcc...
>> tools/build/v2/engine/bin.
>> >>> linuxx86_64/b2
>> >>> Detecting Python version... 2.7
>> >>> Detecting Python root... /root/Enthought/Canopy_64bit/User
>> >>> Unicode/ICU support for Boost.Regex?... not found.
>> >>> Generating Boost.Build configuration in project-config.jam...
>> >>>
>> >>> Bootstrapping is done. To build, run:
>> >>>
>> >>> ./b2
>> >>>
>> >>> To adjust configuration, edit 'project-config.jam'.
>> >>> Further information:
>> >>>
>> >>> - Command line help:
>> >>> ./b2 --help
>> >>>
>> >>> - Getting started guide:
>> >>> http://www.boost.org/more/getting_started/unix-variants.html
>> >>>
>> >>> - Boost.Build documentation:
>> >>> http://www.boost.org/boost-build2/doc/html/index.html
>> >>>
>> >>> [root@eric-pc boost_1_55_0]#
>> >>>
>> >>> But, when I performed ./b2 address-model=64 cflags=-fPIC cxxflags=-fPIC
>> >>> Install I got errors of compilation with gcc (I use gcc (GCC) 4.1.2
>> >>> 20080704 (Red Hat 4.1.2-54)) and should be ok (miminum required gcc
>> 3.3:
>> >>>
>> >>> ...failed gcc.compile.c++ bin.v2/libs/python/build/gcc-
>> >>> 4.1.2/release/address-model-64/link-static/threading-
>> >>> multi/object/function_doc_signature.o...
>> >>> ...skipped <pbin.v2/libs/python/build/gcc-4.1.2/release/address-
>> >>> model-64/link-static/threading-multi>libboost_python.a(clean) for lack
>> of
>> >>>
>> <pbin.v2/libs/python/build/gcc-4.1.2/release/address-model-64/link-static/
>> >>> threading-multi>numeric.o...
>> >>> ...skipped <pbin.v2/libs/python/build/gcc-4.1.2/release/address-
>> >>> model-64/link-static/threading-multi>libboost_python.a for lack of
>> >>>
>> <pbin.v2/libs/python/build/gcc-4.1.2/release/address-model-64/link-static/
>> >>> threading-multi>numeric.o...
>> >>> ...skipped <p/usr/local/lib>libboost_python.a for lack of
>> >>>
>> <pbin.v2/libs/python/build/gcc-4.1.2/release/address-model-64/link-static/
>> >>> threading-multi>libboost_python.a...
>> >>> common.copy /usr/local/lib/libboost_regex.a
>> >>> ...failed updating 56 targets...
>> >>> ...skipped 6 targets...
>> >>> ...updated 3 targets...
>> >>>
>> >>>
>> >>> Regards,
>> >>>
>> >>> Enrico
>> >>>
>> >>>
>> >>>
>> >>> Quoting Christos Kannas <[email protected]>:
>> >>>
>> >>> Hi Enrico,
>> >>>>
>> >>>> The latest version of RDKit does not require flex or bison,
>> thankfully.
>> >>>>
>> >>>> In the attached file I list the commands that I used to build CMake
>> >>>> (2.8.12.2), Boost libraries (1.55) and RDKit (2014_03_1) on a CentOS
>> 5.10
>> >>>> VM.
>> >>>> In my case I was using an Anaconda Python environment so I didn't
>> have to
>> >>>> install NumPy, since it is bundled to it.
>> >>>>
>> >>>> Best,
>> >>>>
>> >>>> Christos
>> >>>>
>> >>>> Christos Kannas
>> >>>>
>> >>>> Researcher
>> >>>> Ph.D Student
>> >>>>
>> >>>> Mob (UK): +44 (0) 7447700937
>> >>>> Mob (Cyprus): +357 99530608
>> >>>>
>> >>>> [image: View Christos Kannas's profile on LinkedIn]
>> >>>> <http://cy.linkedin.com/in/christoskannas>
>> >>>>
>> >>>>
>> >>>>
>> >>>> On 24 July 2014 10:05, Enrico Perspicace <
>> [email protected]
>> >>>> >
>> >>>> wrote:
>> >>>>
>> >>>>
>> >>>>> Dear all,
>> >>>>>
>> >>>>> I would like to install RDKit 2014 on Centos 5.10 (Final) but I did
>> not
>> >>>>> succeed!
>> >>>>>
>> >>>>> I follow Instructions for Installation on RDKIT website but I got an
>> >>>>> error
>> >>>>> when I used cmake command line...
>> >>>>>
>> >>>>> Indeed, cmake is not able to find boost_python library.
>> >>>>>
>> >>>>> I installed: Python 2.7, atlas, lapack, blas, fftw3, numpy 1.8 via
>> canopy
>> >>>>> 1.4.1 (and is working with python import numpy), boost 1.55, flex
>> 2.5.35
>> >>>>> and bison 3.0.2 before performing the RDKit installation.
>> >>>>>
>> >>>>> I followed the procedure described here:
>> https://www.mail-archive.com/
>> >>>>> [email protected]/msg01376.html
>> >>>>>
>> >>>>> Please find in attached document related files which describe my
>> problem.
>> >>>>>
>> >>>>> Thanks a lot for you help.
>> >>>>>
>> >>>>> Best regards,
>> >>>>>
>> >>>>> Enrico Perspicace
>> >>>>>
>> >>>>>
>> >>>>> ------------------------------------------------------------
>> >>>>> ------------------
>> >>>>> Want fast and easy access to all the code in your enterprise? Index
>> and
>> >>>>> search up to 200,000 lines of code with a free copy of Black Duck
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>> >>>>> _______________________________________________
>> >>>>> Rdkit-discuss mailing list
>> >>>>> [email protected]
>> >>>>> https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
>> >>>>>
>> >>>>>
>> >>>>>
>> >>>
>> >>>
>> >>>
>> >
>> >
>> >
>> >
>> >
>> ------------------------------------------------------------------------------
>> > Want fast and easy access to all the code in your enterprise? Index and
>> > search up to 200,000 lines of code with a free copy of Black Duck
>> > Code Sight - the same software that powers the world's largest code
>> > search on Ohloh, the Black Duck Open Hub! Try it now.
>> > http://p.sf.net/sfu/bds
>> > _______________________________________________
>> > Rdkit-discuss mailing list
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>> > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
>>
>>
>>
>>
>>
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