Hi Riccardo,
Thanks for the quick reply.
Closer scrutiny revealed that CMake was not finding the correct version of MS
compiler, so compilations were therefore failing.
Tried “conda build rdkit” again using the VS x64 command Prompt (2010), and it
now appears to have worked [mostly].
Some tests failed, but info has since scrolled off into hyperspace… is there an
easy method to re-run the RDKit test suite?
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:riccardo.viane...@gmail.com]
Sent: 18 November 2014 19:46
To: Stephen O'hagan
Cc: rdkit-discuss@lists.sourceforge.net
Subject: Re: [Rdkit-discuss] conda-rdkit fails to install Win7.
Hi Steve,
On Tue, Nov 18, 2014 at 2:33 PM, Stephen O'hagan
<soha...@manchester.ac.uk<mailto:soha...@manchester.ac.uk>> 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
------------------------------------------------------------------------------
Download BIRT iHub F-Type - The Free Enterprise-Grade BIRT Server
from Actuate! Instantly Supercharge Your Business Reports and Dashboards
with Interactivity, Sharing, Native Excel Exports, App Integration & more
Get technology previously reserved for billion-dollar corporations, FREE
http://pubads.g.doubleclick.net/gampad/clk?id=157005751&iu=/4140/ostg.clktrk
_______________________________________________
Rdkit-discuss mailing list
Rdkit-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
