Hi Steve,
On Wed, Nov 19, 2014 at 12:50 PM, Stephen O'hagan <[email protected]>
wrote:
> Some tests failed, but info has since scrolled off into hyperspace… is
> there an easy method to re-run the RDKit test suite?
>
I'm afraid it is not possible to resume the recipe execution, but if the
temporary build environment wasn't yet removed (the output from conda info
-e would list an environment named _build) it may be possible to activate
it and then change directory to conda-bld\work and run 'make test' again
manually (provided that all of the required environment variables are set,
those defining the compiler environment, plus %RDBASE%, and %PYTHONPATH%).
Moreover, additional details about the tests execution might be still
available from the LastTest.log file.
Alternatively, you could try installing the build-time dependencies (see
the recipe's meta.yaml file for a list) into a regular conda environment
and use it to build the RDKit with commands similar to those used by the
recipe's bld.bat build script. Managing the whole process manually might be
convenient in case you had to first troubleshoot your build environment
before proceeding to the actual packaging.
Regards,
Riccardo
>
>
> BTW, ‘LastTestsFailed.log’ contains:
>
>
>
> 7:pyDiscreteValueVect
>
> 8:pySparseIntVect
>
> 34:testMolSupplier
>
> 50:pyPartialCharges
>
> 71:pyGraphMolWrap
>
> 77:pyRanker
>
> 79:pyFeatures
>
> 80:pythonTestDbCLI
>
> 81:pythonTestDirML
>
> 86:pythonTestDirChem
>
>
>
> Cheers,
>
> Steve.
>
>
>
> *From:* Riccardo Vianello [mailto:[email protected]]
> *Sent:* 18 November 2014 19:46
> *To:* Stephen O'hagan
> *Cc:* [email protected]
> *Subject:* Re: [Rdkit-discuss] conda-rdkit fails to install Win7.
>
>
>
> Hi Steve,
>
>
> On Tue, Nov 18, 2014 at 2:33 PM, Stephen O'hagan <[email protected]>
> wrote:
>
> Trying to install conda-rdkit on win7 64-bit as per instructions
> https://github.com/rdkit/conda-rdkit
>
>
>
> ‘conda build boost’ appears to work.
>
>
>
> Yes, the conda recipe for boost on windows currently simply performs a
> repackaging of the official boost binary distribution, so it should work in
> almost all cases.
>
>
> ‘conda build rdkit’ appears to download and re-install boost during
> installation.
>
>
> This is probably expected, during the build process boost is installed
> together with the other build-time dependencies into a temporary
> environment which is automatically created by conda. A message saying that
> some packages are being downloaded is most likely to refer to packages that
> are not already available from the local conda cache. These packages are
> most usually downloaded from a remote distribution channel, but the list
> may also include packages that are copied from the local build directory
> (which I think was probably the case for boost).
>
>
> It then fails with cmake unable to find boost, and subsequently ‘nmake
> error U1073’.
>
>
>
> And this is quite unexpected, but also difficult to interpret with the
> provided amount of information.. Could you please send a copy of the actual
> cmake command line that was issued, and/or the CMakeCache.txt file that
> should have been created inside the top-level RDKit source distribution
> directory at <path to your anaconda installation>\conda-bld\work?
>
> Finally, I don't know if it may be of help, but some windows 64-bit
> packages for the latest RDKit release should now be also available from the
> binstar rdkit channel (in order to fetch them, you would just need to add
> '-c rdkit' to the conda create/install/update command line. The build for
> these packages passed all tests but the two related to the avalon tools).
>
>
>
> Best,
>
> Riccardo
>
>
>
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