Hi Greg,
Thank you very much. I uninstalled the previous build and did it again. This
time python was found. I can't find the testExecs folder anywhere in RDKit.
Thanks & regards,
Bowen
=============================================================================
Python 2.6.2 (r262:71605, Apr 14 2009, 22:40:02) [MSC v.1500 32 bit (Intel)] on
win32
Type "help", "copyright", "credits" or "license" for more information.
>>> from rdkit import Chem
Traceback (most recent call last):
File "<stdin>", line 1, in <module>
File "E:\Code library\chemoinformatics\RDKit_Q22009_1\rdkit\Chem\__init__.py",
line 14, in <module>
from rdkit import rdBase
ImportError: DLL load failed: The specified module could not be found.
==============================================================================
E:\Code library\chemoinformatics\RDKit_Q22009_1\Code>..\rdkit\TestRunner.py
test_list.py
Could not find executable: testExecs/testDict.exe.
Could not find executable: testExecs/test.exe.
Traceback (most recent call last):
File "testBV.py", line 1, in <module>
from rdkit import DataStructs
File "E:\Code library\chemoinformatics\RDKit_Q22009_1\rdkit\DataStructs\__init
__.py", line 7, in <module>
from rdkit import rdBase
ImportError: DLL load failed: The specified module could not be found.
Traceback (most recent call last):
File "testDiscreteValueVect.py", line 10, in <module>
from rdkit import DataStructs as ds
File "E:\Code library\chemoinformatics\RDKit_Q22009_1\rdkit\DataStructs\__init
__.py", line 7, in <module>
from rdkit import rdBase
ImportError: DLL load failed: The specified module could not be found.
Traceback (most recent call last):
File "testSparseIntVect.py", line 10, in <module>
from rdkit import DataStructs as ds
File "E:\Code library\chemoinformatics\RDKit_Q22009_1\rdkit\DataStructs\__init
__.py", line 7, in <module>
from rdkit import rdBase
ImportError: DLL load failed: The specified module could not be found.
Could not find executable: testExecs/test.exe.
Could not find executable: testExecs/testMatCalc.exe.
Traceback (most recent call last):
File "testMatricCalc.py", line 3, in <module>
from rdkit.DataManip.Metric import rdMetricMatrixCalc as rdmmc
File "E:\Code library\chemoinformatics\RDKit_Q22009_1\rdkit\DataManip\Metric\_
_init__.py", line 7, in <module>
from rdkit import rdBase
ImportError: DLL load failed: The specified module could not be found.
Traceback (most recent call last):
File "testRanker.py", line 3, in <module>
from rdkit.ML.InfoTheory import rdInfoTheory as rdit
File "E:\Code library\chemoinformatics\RDKit_Q22009_1\rdkit\ML\InfoTheory\__in
it__.py", line 4, in <module>
from rdInfoTheory import *
ImportError: DLL load failed: The specified module could not be found.
Could not find executable: testExecs/testOptimizer.exe.
Could not find executable: testExecs/main.exe.
Could not find executable: testExecs/main.exe.
Traceback (most recent call last):
File "testAlignment.py", line 3, in <module>
import rdkit.Numerics.rdAlignment as rdAlg
File "E:\Code library\chemoinformatics\RDKit_Q22009_1\rdkit\Numerics\__init__.
py", line 4, in <module>
import rdAlignment as Alignment
ImportError: DLL load failed: The specified module could not be found.
Could not find executable: testExecs/main.exe.
Could not find executable: testExecs/testForceField.exe.
Could not find executable: testExecs/main.exe.
Traceback (most recent call last):
File "rough_test.py", line 12, in <module>
from rdkit import DistanceGeometry as DG
File "E:\Code library\chemoinformatics\RDKit_Q22009_1\rdkit\DistanceGeometry\_
_init__.py", line 1, in <module>
from DistGeom import *
ImportError: DLL load failed: The specified module could not be found.
Could not find executable: testExecs/main.exe.
Traceback (most recent call last):
File "testFeatures.py", line 9, in <module>
from rdkit import Chem
File "E:\Code library\chemoinformatics\RDKit_Q22009_1\rdkit\Chem\__init__.py",
line 14, in <module>
from rdkit import rdBase
ImportError: DLL load failed: The specified module could not be found.
Traceback (most recent call last):
File "testPickers.py", line 3, in <module>
from rdkit.SimDivFilters import rdSimDivPickers
File "E:\Code library\chemoinformatics\RDKit_Q22009_1\rdkit\SimDivFilters\__in
it__.py", line 5, in <module>
from rdkit import rdBase
ImportError: DLL load failed: The specified module could not be found.
Traceback (most recent call last):
File "testMaxMin.py", line 1, in <module>
from rdkit.SimDivFilters import rdSimDivPickers as rdsimdiv
File "E:\Code library\chemoinformatics\RDKit_Q22009_1\rdkit\SimDivFilters\__in
it__.py", line 5, in <module>
from rdkit import rdBase
ImportError: DLL load failed: The specified module could not be found.
Traceback (most recent call last):
File "testRanker.py", line 3, in <module>
from rdkit.ML.InfoTheory import rdInfoTheory as rdit
File "E:\Code library\chemoinformatics\RDKit_Q22009_1\rdkit\ML\InfoTheory\__in
it__.py", line 4, in <module>
from rdInfoTheory import *
ImportError: DLL load failed: The specified module could not be found.
Traceback (most recent call last):
File "testCMIM.py", line 1, in <module>
from rdkit.ML import FeatureSelect as FS
File "E:\Code library\chemoinformatics\RDKit_Q22009_1\rdkit\ML\FeatureSelect\_
_init__.py", line 1, in <module>
from rdkit import DataStructs
File "E:\Code library\chemoinformatics\RDKit_Q22009_1\rdkit\DataStructs\__init
__.py", line 7, in <module>
from rdkit import rdBase
ImportError: DLL load failed: The specified module could not be found.
Could not find executable: testExecs/itertest.exe.
Could not find executable: testExecs/MolOpsTest.exe.
Could not find executable: testExecs/testCanon.exe.
Could not find executable: testExecs/testPickler.exe.
Could not find executable: testExecs/test1.exe.
Could not find executable: testExecs/testChirality.exe.
Could not find executable: testExecs/testDepictor.exe.
Could not find executable: testExecs/test1.exe.
Could not find executable: testExecs/testMolSupplier.exe.
Could not find executable: testExecs/testMolWriter.exe.
Could not find executable: testExecs/testTplParser.exe.
Could not find executable: testExecs/testMol2ToMol.exe.
Could not find executable: testExecs/test.exe.
Could not find executable: testExecs/smatest.exe.
Could not find executable: testExecs/test1.exe.
Could not find executable: testExecs/test1.exe.
Could not find executable: testExecs/test2.exe.
Could not find executable: testExecs/test1.exe.
Could not find executable: testExecs/test1.exe.
Could not find executable: testExecs/testMolTransform.exe.
Traceback (most recent call last):
File "testMolTransforms.py", line 4, in <module>
from rdkit import DataStructs
File "E:\Code library\chemoinformatics\RDKit_Q22009_1\rdkit\DataStructs\__init
__.py", line 7, in <module>
from rdkit import rdBase
ImportError: DLL load failed: The specified module could not be found.
Traceback (most recent call last):
File "rough_test.py", line 14, in <module>
from rdkit import DataStructs
File "E:\Code library\chemoinformatics\RDKit_Q22009_1\rdkit\DataStructs\__init
__.py", line 7, in <module>
from rdkit import rdBase
ImportError: DLL load failed: The specified module could not be found.
Traceback (most recent call last):
File "testConformer.py", line 9, in <module>
from rdkit import Chem
File "E:\Code library\chemoinformatics\RDKit_Q22009_1\rdkit\Chem\__init__.py",
line 14, in <module>
from rdkit import rdBase
ImportError: DLL load failed: The specified module could not be found.
Traceback (most recent call last):
File "testDepictor.py", line 6, in <module>
from rdkit import Chem
File "E:\Code library\chemoinformatics\RDKit_Q22009_1\rdkit\Chem\__init__.py",
line 14, in <module>
from rdkit import rdBase
ImportError: DLL load failed: The specified module could not be found.
Traceback (most recent call last):
File "rough_test.py", line 13, in <module>
from rdkit.RDLogger import logger
File "E:\Code library\chemoinformatics\RDKit_Q22009_1\rdkit\RDLogger.py", line
8, in <module>
from rdkit.rdBase import EnableLog,DisableLog,AttachFileToLog,LogMessage
ImportError: DLL load failed: The specified module could not be found.
Traceback (most recent call last):
File "testPartialCharges.py", line 1, in <module>
from rdkit import Chem
File "E:\Code library\chemoinformatics\RDKit_Q22009_1\rdkit\Chem\__init__.py",
line 14, in <module>
from rdkit import rdBase
ImportError: DLL load failed: The specified module could not be found.
Could not find executable: testExecs/testHelpers.exe.
Could not find executable: testExecs/main.exe.
Traceback (most recent call last):
File "testDistGeom.py", line 1, in <module>
from rdkit import Chem
File "E:\Code library\chemoinformatics\RDKit_Q22009_1\rdkit\Chem\__init__.py",
line 14, in <module>
from rdkit import rdBase
ImportError: DLL load failed: The specified module could not be found.
Could not find executable: testExecs/testDescriptors.exe.
Could not find executable: testExecs/testFeatures.exe.
Traceback (most recent call last):
File "testChemicalFeatures.py", line 1, in <module>
from rdkit import DataStructs
File "E:\Code library\chemoinformatics\RDKit_Q22009_1\rdkit\DataStructs\__init
__.py", line 7, in <module>
from rdkit import rdBase
ImportError: DLL load failed: The specified module could not be found.
Could not find executable: testExecs/testMolAlign.exe.
Traceback (most recent call last):
File "testMolAlign.py", line 10, in <module>
from rdkit import Chem
File "E:\Code library\chemoinformatics\RDKit_Q22009_1\rdkit\Chem\__init__.py",
line 14, in <module>
from rdkit import rdBase
ImportError: DLL load failed: The specified module could not be found.
Could not find executable: testExecs/main.exe.
Traceback (most recent call last):
File "testShapeHelpers.py", line 4, in <module>
from rdkit import DataStructs
File "E:\Code library\chemoinformatics\RDKit_Q22009_1\rdkit\DataStructs\__init
__.py", line 7, in <module>
from rdkit import rdBase
ImportError: DLL load failed: The specified module could not be found.
Could not find executable: testExecs/main.exe.
Could not find executable: testExecs/test1.exe.
Traceback (most recent call last):
File "rough_test.py", line 7, in <module>
from rdkit import Chem
File "E:\Code library\chemoinformatics\RDKit_Q22009_1\rdkit\Chem\__init__.py",
line 14, in <module>
from rdkit import rdBase
ImportError: DLL load failed: The specified module could not be found.
Could not find executable: testExecs/testReaction.exe.
Traceback (most recent call last):
File "testReactionWrapper.py", line 32, in <module>
from rdkit import rdBase
ImportError: DLL load failed: The specified module could not be found.
Could not find executable: testExecs/test.exe.
Traceback (most recent call last):
File "testSLN.py", line 35, in <module>
from rdkit import Chem
File "E:\Code library\chemoinformatics\RDKit_Q22009_1\rdkit\Chem\__init__.py",
line 14, in <module>
from rdkit import rdBase
ImportError: DLL load failed: The specified module could not be found.
Traceback (most recent call last):
File "testSLN.py", line 35, in <module>
from rdkit import Chem
File "E:\Code library\chemoinformatics\RDKit_Q22009_1\rdkit\Chem\__init__.py",
line 14, in <module>
from rdkit import rdBase
ImportError: DLL load failed: The specified module could not be found.
!-!-!-!-!-!-!-!-!-!-!
Script: test_list.py. Failed 15 (of 15) tests in 11.67 seconds
(RDGeneral): python test_list.py
(DataStructs): python test_list.py
(DataStructs/Wrap): python test_list.py
(Query): python test_list.py
(DataManip/MetricMatrixCalc): python test_list.py
(DataManip/MetricMatrixCalc/Wrap): python test_list.py
(ML/InfoTheory/Wrap): python test_list.py
(Numerics): python test_list.py
(ForceField): python test_list.py
(DistGeom): python test_list.py
(ChemicalFeatures): python test_list.py
(ChemicalFeatures/Wrap): python test_list.py
(SimDivPickers/Wrap): python test_list.py
(ML): python test_list.py
(GraphMol): python test_list.py
-----Original Message-----
From: Greg Landrum [mailto:[email protected]]
Sent: 2009年8月27日 11:47
To: Li Bowen
Cc: [email protected]
Subject: Re: [Rdkit-discuss] installation problem
Dear Bowen,
On Wed, Aug 26, 2009 at 8:02 AM, Li Bowen<[email protected]> wrote:
>
> I am trying to install RDKit. When I test the build it gave the following
> error. I have c:\python26 in my path variable and all the environment
> variables have been set up. Don’t understand why it still looks into
> c:/python25 for python.exe.
At least part of the problem is on line 77 of $RDBASE/rdkit/RDConfig.py:
pythonExe=os.path.join(os.environ.get('PYTHONHOME','c:/python25'),'python.exe')
You need to either set a PYTHONHOME environment variable or edit this
line to be:
pythonExe=os.path.join(os.environ.get('PYTHONHOME','c:/python26'),'python.exe')
> By the way the installation is really difficult
> and must be very cautious.
Yes, the installation and configuration is not as straightforward as
it could be.
Best Regards,
-greg
