Re: [Rdkit-discuss] Adding molecules to pandas dataframe

https://gist.github.com/greglandrum/914ae66fd2f97addbbd472ae726567b1 > > -greg > > > On Thu, Jul 25, 2019 at 4:45 PM Gianluca Sforna wrote: >> >> Hi all, >> is it possible to manually add molecules to a pandas dataframe? I am >> reading a bunch of mol2 files, adding some properties (includ

[Rdkit-discuss] Adding molecules to pandas dataframe

and examples I found around always assume you have a SMILES string to start with. Any pointers? -- Gianluca Sforna ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss

[Rdkit-discuss] 2019.03.1 Compile failure

't have time now to track it down, so any help is appreciated. Regards Gianluca -- Gianluca Sforna ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss

Re: [Rdkit-discuss] Support for newer conda versions

org/coprs/giallu/rdkit/ HTH Gianluca -- Gianluca Sforna http://plus.google.com/+gianlucasforna - http://twitter.com/giallu Tinker Garage - http://tinkergarage.it -- Check out the vibrant tech community on one of th

Re: [Rdkit-discuss] RPM distros

v1-Linux-Extras.rpm > RDKit-2018.03.1.dev1-Linux-Python.rpm > RDKit-2018.03.1.dev1-Linux-Runtime.rpm Sorry guys, I got back on the list mid-thread so I really need to ask: is there a reason why you are trying to use cpack to build RPMs, instead of the standard rpmbuild tools? -- Gianlu

[Rdkit-discuss] RPM maintenance status

/giallu/rdkit/ x86_64 only for Fedora 26, Fedora 27 and RHEL/CentOS 7 Hope that helps Gianluca -- Gianluca Sforna http://plus.google.com/+gianlucasforna - http://twitter.com/giallu Tinker Garage - http://tinkergarage.it

Re: [Rdkit-discuss] RDKit on armv7h

On Thu, Jun 1, 2017 at 12:03 AM, Samo Turk <samo.t...@gmail.com> wrote: > Thanks! It seems to work, but it's still compiling. Rockchip CPU in my > Chromebook is not very fast.. > How did it turn out? According to my Fedora builds, compiling is fine but tests are going to fail :

Re: [Rdkit-discuss] Cannot import rdBase after installed rdkit by source in a non-administrator linux cluster

nd ​its regular production phase period on March 31; I do hope your admins have an upgrade path for your cluster because it will stop receiving security updates very soon now. https://access.redhat.com/support/policy/updates/errata -- Gianluca Sforna http://plus.google.com/+gianlucasforna - htt

Re: [Rdkit-discuss] Hankering after faster builds

On Fri, Dec 2, 2016 at 6:29 PM, Tim Dudgeon wrote: > But since I've been working with the Release_2016_09_2 release my Docker > image builds on Docker Hub [1] are timing out as they sometimes exceed > the 2 hour limit. If I try at a quiet time I can sometimes get them to >

[Rdkit-discuss] Coot heading to Fedora

://bugzilla.redhat.com/show_bug.cgi?id=1359402 -- Gianluca Sforna http://plus.google.com/+gianlucasforna - http://twitter.com/giallu Tinker Garage - http://tinkergarage.it

Re: [Rdkit-discuss] compiling with the RDKit with cairo on Fedora

; > rdkit_headers(MolDraw2D.h >MolDraw2DSVG.h >MolDraw2Dwx.h >MolDraw2DUtils.h > ) > > needs added: DEST GraphMol/MolDraw2D > > (the current git master has the same) I could not find this change, so I went ahead and created the patch. Testing it in a new build rig

Re: [Rdkit-discuss] junit version problems

sion match and use the correct one. -- Gianluca Sforna http://plus.google.com/+gianlucasforna - http://twitter.com/giallu Tinker Garage - http://tinkergarage.it -- ___ Rdkit-

[Rdkit-discuss] RDKit official packages from Fedora repos

/rdkit/ -- Gianluca Sforna http://plus.google.com/+gianlucasforna - http://twitter.com/giallu Tinker Garage - http://tinkergarage.it -- ___ Rdkit-discuss mailing list Rdkit

Re: [Rdkit-discuss] library name change?

On Fri, Aug 19, 2016 at 1:52 PM, Greg Landrum wrote: > Nice suggestion. It seems logical to me, though I would probably go with > RDKit instead of RD as the prefix. > It's not a small change for people who are using the C++ libs without cmake > (I wouldn't change the

Re: [Rdkit-discuss] PGSQL build with cmake and system inchi

On Mon, Aug 8, 2016 at 11:20 AM, Greg Landrum wrote: > As Paolo points out, this really just integrates the cartridge tests into > the rest of the test suite. Ok, so basically I was not seeing this before because I was not running it with the old style build > >

Re: [Rdkit-discuss] PGSQL build with cmake and system inchi

Thanks for the patch Paolo. Is test 97 new? It seems it wants to use the Postgres server and fails, I am afraid it is not easy to have it working at build time. On Fri, Aug 5, 2016 at 11:45 AM, Gianluca Sforna <gia...@gmail.com> wrote: > Anyone ever tested this combo? > > I am cu

[Rdkit-discuss] PGSQL build with cmake and system inchi

the CMakeFile is hardcoding the "Inchi" name as library to search for Maybe it should be using the "FindInchi" macro and avoid putting the explicit name there? Not sure how to patch it. -- Gianluca Sforna http://plus.google.com/+gianlucasforna - http://twitter.com/giallu

Re: [Rdkit-discuss] FYI: problems with boost 1.60 and the RDKit

in Fedora 24 and rawhide (aka Fedora 25) has been patched, so it can be used to build rdkit. https://bodhi.fedoraproject.org/updates/FEDORA-2016-fff5d70162 Regards G. -- Gianluca Sforna http://plus.google.com/+gianlucasforna - http://twitter.com/giallu Tinker Garage - http://tin

Re: [Rdkit-discuss] Boost 1.61 and the RDKit work together.

on that: I just finished testing the code with v1.61 of boost > and everything works fine. So we still need to skip 1.60? I think that's what Fedora 24 is shipping -- Gianluca Sforna http://plus.google.com/+gianlucasforna - http://twitter.com/giallu Tinker Gara

Re: [Rdkit-discuss] [Rdkit-devel] Beta of Q1 2016 release now up

On Tue, Apr 12, 2016 at 11:51 AM, Gianluca Sforna <gia...@gmail.com> wrote: > On Mon, Apr 11, 2016 at 1:20 PM, Greg Landrum <greg.land...@gmail.com> wrote: >> This could be the issue fixed by this PR from Matt Swain: >> https://github.com/rdkit/rdkit/pull/856

Re: [Rdkit-discuss] [Rdkit-devel] Beta of Q1 2016 release now up

On Mon, Apr 11, 2016 at 1:20 PM, Greg Landrum <greg.land...@gmail.com> wrote: > This could be the issue fixed by this PR from Matt Swain: > https://github.com/rdkit/rdkit/pull/856 Yeah, that's it. Thanks! -- Gianluca Sforna http://plus.google.com/+gianlucasforna - http://twitte

Re: [Rdkit-discuss] [Rdkit-devel] Beta of Q1 2016 release now up

On Thu, Apr 7, 2016 at 6:24 AM, Greg Landrum wrote: > I have tagged a beta of the next RDKit release here: > https://github.com/rdkit/rdkit/releases/tag/Release_2016_03_1b1 Tried to rebuild the RPMs but got this right on cmake: -- Found INCHI: /usr/lib64/libinchi.so

Re: [Rdkit-discuss] Latest version

which is what I'm after. In this case, you probably want to install the librdkit-dev package -- Gianluca Sforna http://morefedora.blogspot.com http://plus.google.com/+gianlucasforna - http://

Re: [Rdkit-discuss] [off topic] What comes next

not see coming :) Congratulations and all the best for this new adventure! -- Gianluca Sforna http://morefedora.blogspot.com http://plus.google.com/+gianlucasforna - http://twi

Re: [Rdkit-discuss] RDKit Linux install error

azing mobile app experiences with Intel(R) XDK. > Use one codebase in this all-in-one HTML5 development environment. > Design, debug & build mobile apps & 2D/3D high-impact games for multiple > OSs. > http://pubads.g

Re: [Rdkit-discuss] 2015.09 (Q3 2015) RDKit Release

On Wed, Nov 18, 2015 at 3:24 AM, Greg Landrum wrote: > > Gianluca's binary RPMs for Fedora 20, 21 and RHEL/Centos 6, 7 will be > available from > this repository: > https://copr.fedoraproject.org/coprs/giallu/rdkit/ 2015_09_1 is already there for Fedora 21, 22 and 23, I'm

Re: [Rdkit-discuss] Java wrappers

found that if you run java with the -cp option (as we do in tests) then the CLASSPATH env variable is ignored. I think this can be the reason why I have missing symbols. I hope to find a way to workaround this. -- Gianluca Sforna http://morefedora.blogspot.com http://plus.google.com

Re: [Rdkit-discuss] Java wrappers

/lib: -- Gianluca Sforna http://morefedora.blogspot.com http://plus.google.com/+gianlucasforna - http://twitter.com/giallu -- One dashboard for servers and applications across Physical-Virtual-Cloud Widest out

[Rdkit-discuss] Java wrappers

: /builddir/build/BUILD/rdkit-Release_2015_03_1beta1/Code/JavaWrappers/gmwrapper/libGraphMolWrap.so: undefined symbol: _ZTVN5RDKi t9MolDraw2DE Any idea? -- Gianluca Sforna http://morefedora.blogspot.com http://plus.google.com/+gianlucasforna - http://twitter.com/giallu

Re: [Rdkit-discuss] [Rdkit-devel] 2014.09 (Q3 2014) RDKit Release

. binary RPMs for Fedora 20, 21 and RHEL/Centos 6, 7 are available from: https://copr.fedoraproject.org/coprs/giallu/rdkit/ -- Gianluca Sforna http://morefedora.blogspot.com http://plus.google.com/+gianlucasforna - http://twitter.com/giallu

Re: [Rdkit-discuss] [Rdkit-devel] Beta of Q3 2014 release now up

RPMs. Not critical, but this tag misses the Release_ prefix so my download script broke :) Other than that, it builds correctly on Fedora 20 and 21 (64bit) -- Gianluca Sforna http://morefedora.blogspot.com http://plus.google.com/+gianlucasforna - http://twitter.com/giallu

Re: [Rdkit-discuss] [Rdkit-devel] 2014.03 (Q1 2014) RDKit release

On Tue, May 27, 2014 at 9:36 AM, GALLY Jose Manuel jose.manuel.ga...@gmail.com wrote: Do you think you could fix this? ​Yeah, I got it fixed. Thanks for noticing. -- Gianluca Sforna http://morefedora.blogspot.com http://plus.google.com/+gianlucasforna - http://twitter.com/giallu

Re: [Rdkit-discuss] [Rdkit-devel] 2014.03 (Q1 2014) RDKit release

receive the update as soon as it finish building. -- Gianluca Sforna http://morefedora.blogspot.com http://plus.google.com/+gianlucasforna - http://twitter.com/giallu -- The best possible search technologies are now

Re: [Rdkit-discuss] rdkit RPM for CentOS 5.3 ?

on that server. For a start, you can make your life easier by adding the EPEL repository and pulling python26 package from there. IIRC the only real blocker that prevented me from building RDKit against CentOS5 + EPEL was flex -- Gianluca Sforna http://morefedora.blogspot.com http://identi.ca

Re: [Rdkit-discuss] InChI roundtrip

/mailarchive/message.php?msg_id=30885294 -- Gianluca Sforna http://morefedora.blogspot.com http://identi.ca/giallu - http://twitter.com/giallu -- WatchGuard Dimension instantly turns raw network data into actionable

[Rdkit-discuss] Substructure search test cases

Before I go digging the repository, can anyone tell me if the test suite includes stuff for the postgres cartridge? I am particularly interested in comparing results and performance with a custom solution I have here. -- Gianluca Sforna http://morefedora.blogspot.com http://identi.ca/giallu

Re: [Rdkit-discuss] RDKit Java/Swig Boost

. So, I have the most recent version of RDKit built and everything has passed the tests. Great! Is there something else in the environment I need to set up to get through the UnsatisfiedLinkError? Sorry, I can't help there as I don't use Java. I hope someone else can chime in. -- Gianluca

Re: [Rdkit-discuss] RDKit Java/Swig Boost

rebuild rdkit in copr and you can find the resulting binary RPMs here: http://copr.fedoraproject.org/coprs/giallu/rdkit/ Regards Gianluca -- Gianluca Sforna http://morefedora.blogspot.com http://identi.ca/giallu - http://twitter.com/giallu

Re: [Rdkit-discuss] docker.io - container for fully fledged rdkit installation on linux?

: http://techcrunch.com/2013/09/19/dotcloud-pivots-and-wins-big-with-docker-the-cloud-service-now-part-of-red-hat-openshift/ As enthusiast openshift user I will probably try to get rdkit running there using docker -- Gianluca Sforna http://morefedora.blogspot.com http://identi.ca/giallu - http

Re: [Rdkit-discuss] problem with RDKit configuration on apache and wsgi

source software, so I tend to trust it more than many other things like, hard disks http://spritesmods.com/?art=hddhack :) /offtopic -- Gianluca Sforna http://morefedora.blogspot.com http://identi.ca/giallu - http://twitter.com/giallu

Re: [Rdkit-discuss] problem with RDKit configuration on apache and wsgi

On Thu, Sep 12, 2013 at 12:25 AM, Greg Landrum greg.land...@gmail.com wrote: Glad the problem is solved. And without disabling SELinux :) http://stopdisablingselinux.com/ -- Gianluca Sforna http://morefedora.blogspot.com http://identi.ca/giallu - http://twitter.com/giallu

Re: [Rdkit-discuss] Unable to build RDKit_2013_06_1 and Git version on Arch Linux

On Fri, Aug 16, 2013 at 8:30 PM, greg landrum greg.land...@gmail.com wrote: I definitely haven't tried it with bison 3.0 (and am kind of amazed that such a version exists!) And then they mock Fedora for being too bleeding edge... :P -- Gianluca Sforna http://morefedora.blogspot.com http

Re: [Rdkit-discuss] InChI support in Ubuntu repository version of rdkit?

On Fri, Aug 2, 2013 at 9:35 PM, Richard West r.h.w...@gmail.com wrote: 1) Is there any hope of getting a version with InChI into the Ubuntu repositories? You can probably report a bug against the package and let the maintainer rebuild it with inchi suppot. -- Gianluca Sforna http

Re: [Rdkit-discuss] [Rdkit-devel] 2013.03 (Q1 2013) RDkit release

. -- Gianluca Sforna http://morefedora.blogspot.com http://identi.ca/giallu - http://twitter.com/giallu -- Try New Relic Now We'll Send You this Cool Shirt New Relic is the only SaaS-based application performance

Re: [Rdkit-discuss] Coding convention/style?

rebase git push rdkit@github master having commit access to SVN it would be possible to push commits from git to svn, but I have no such access and honestly I just hope we drop svn at some point and just use git :) -- Gianluca Sforna http://morefedora.blogspot.com http://identi.ca/giallu

[Rdkit-discuss] Updated rpm packages

Hi all, I just updated the rdkit packages in my fedorapeople space: http://giallu.fedorapeople.org/rdkit-2012.12/ to include support for the inchi library. As usual, feel free to contact me for any question about these packages -- Gianluca Sforna http://morefedora.blogspot.com http

Re: [Rdkit-discuss] [Rdkit-devel] 2012.12 (Q4 2012) RDkit release

namespace, I have surely nothing against :) -- Gianluca Sforna http://morefedora.blogspot.com http://identi.ca/giallu - http://twitter.com/giallu -- Master Visual Studio, SharePoint, SQL, ASP.NET, C# 2012, HTML5, CSS, MVC

Re: [Rdkit-discuss] [Rdkit-devel] Beta of Q4 2012 release

://rdkit.googlecode.com/files/RDKit_2012_12_1beta1.tgz RPM packages builds correctly in Fedora 17/18. CentOS/RHEL 6 builds fails because postgres 9.1 or newer is now required. If this is the case also for the final release, I will disable the cartridge in the EL builds. Thanks for the notice G. -- Gianluca Sforna

Re: [Rdkit-discuss] Beta of Q4 2012 release

:) -- Gianluca Sforna http://morefedora.blogspot.com http://identi.ca/giallu - http://twitter.com/giallu -- Master Visual Studio, SharePoint, SQL, ASP.NET, C# 2012, HTML5, CSS, MVC, Windows 8 Apps, JavaScript and much more. Keep your

Re: [Rdkit-discuss] Getting ready for the Q4 2012 release

. In the local instances, I got a report of python crashing during those tests but I never got around determining what the cause could be. I will come back with the results of the new build. Thanks G. -- Gianluca Sforna http://morefedora.blogspot.com http://identi.ca/giallu - http://twitter.com

Re: [Rdkit-discuss] better error messages (vol 3)

to be read by humans show atom indexes starting from 1. No one except RMS counts from 0 :) -- Gianluca Sforna http://morefedora.blogspot.com http://identi.ca/giallu - http://twitter.com/giallu -- Everyone hates slow websites

Re: [Rdkit-discuss] [Rdkit-devel] 2012.09 (Q3 2012) RDKit release

in there is failing? Some expect a failure so I can't readily tell from the log which ones are problematic. -- Gianluca Sforna http://morefedora.blogspot.com http://identi.ca/giallu - http://twitter.com/giallu -- Everyone hates slow

Re: [Rdkit-discuss] [Rdkit-devel] RDKit on Github

On Fri, Oct 5, 2012 at 7:36 AM, Greg Landrum greg.land...@gmail.com wrote: I mentioned at the UGM that Gianluca Sforna has set up a mirror of the RDKit subversion repository. The repository is here: https://github.com/rdkit/rdkit Thanks Greg, I really looked forward to join you for the UGM

Re: [Rdkit-discuss] building rdkit under CentOS

the recompilation dance at each release. -- Gianluca Sforna http://morefedora.blogspot.com http://identi.ca/giallu - http://twitter.com/giallu -- Live Security Virtual Conference Exclusive live event will cover all the ways

Re: [Rdkit-discuss] (no subject)

to modify the homebrew recipe so it has cairo/pycairo included in the build. -- Gianluca Sforna http://morefedora.blogspot.com http://identi.ca/giallu - http://twitter.com/giallu -- Live Security Virtual Conference Exclusive

Re: [Rdkit-discuss] RDKIT installation issue on Centos 5.6

.x to build RDKit -- I am using v4.5.3. That is a source of mishap and doom. As I noted earlier, the compiler should not be an issue anymore, just make sure you have gcc-4.1.2-49.el5 or newer. -- Gianluca Sforna http://morefedora.blogspot.com http://identi.ca/giallu - http://twitter.com/giallu

Re: [Rdkit-discuss] [Rdkit-devel] 2012.06 (Q2 2012) RDKit release

://giallu.fedorapeople.org/rdkit/ They are all 64bit; 32 bit and F16 packages available upon request. -- Gianluca Sforna http://morefedora.blogspot.com http://identi.ca/giallu - http://twitter.com/giallu -- Live Security

Re: [Rdkit-discuss] Largest Common Substructure

isomorphism techniques, is there some out-of-the-box functionality for this? Does anyone have some pointers on this subject? Maybe you missed this recent item? http://www.dalkescientific.com/writings/diary/archive/2012/05/12/mcs_background.html -- Gianluca Sforna http://morefedora.blogspot.com http

Re: [Rdkit-discuss] MolBlock for a fragment

it with the purpose of matching it against some other molecule (the query part), I'm just not sure how RDKit could do that, if there is already an API availiable, etc. HTH Gianluca -- Gianluca Sforna http://morefedora.blogspot.com http://identi.ca/giallu - http://twitter.com/giallu

Re: [Rdkit-discuss] Trouble install 2012_03_1's PgSQL cartridge in Postgres 9.1.

now, but IIRC there are two different cartridges, one for 8.x and another one for 9.x. Just to be sure, I'd double check you are installing the right one in there. -- Gianluca Sforna http://morefedora.blogspot.com http://identi.ca/giallu - http://twitter.com/giallu

Re: [Rdkit-discuss] [Rdkit-devel] 2012.03 (Q1 2012) RDKit release

: W: shared-lib-calls-exit /usr/lib64/libSLNParse.so.1.2012.03.1 exit@GLIBC_2.2.5 Cheers G. -- Gianluca Sforna http://morefedora.blogspot.com http://identi.ca/giallu - http://twitter.com/giallu -- For Developers, A Lot

Re: [Rdkit-discuss] Building the RDKit on CentOS 5.7

no more spare time to bring it on. * Is python 2.7 really required? I know 2.4 is getting pretty old but if we can manage to keep it supported it would be very nice. Alternatively, EPEL ships a python26 package that I would use rather than compiling from sources. -- Gianluca Sforna http

Re: [Rdkit-discuss] Problem when building RDKit 2011_09 on CentOs (ouch!)

not affect libpython). I think the easiest solution would be to use the dynamic library libpython2.7.so instead, which I hope is included in the ROCKS distribution. -- Gianluca Sforna http://morefedora.blogspot.com http://identi.ca/giallu - http://twitter.com/giallu

Re: [Rdkit-discuss] Problem when building RDKit 2011_09 on CentOs (ouch!)

that helps G. -- Gianluca Sforna http://morefedora.blogspot.com http://identi.ca/giallu - http://twitter.com/giallu -- All the data continuously generated in your IT infrastructure contains a definitive record of customers

Re: [Rdkit-discuss] label properties on 2D depiction

alternate type of highlighting (changing the backbone color is not always suitable). Can't sign off any timing though, it mostly depend about whether I'll need those at work Cheers G. -- Gianluca Sforna http://morefedora.blogspot.com http://identi.ca/giallu - http://twitter.com/giallu

Re: [Rdkit-discuss] [Rdkit-devel] Beta of Q2 2011 Release Available

bindings are basically unusable right now unless you also activate Inchi support. -- Gianluca Sforna http://morefedora.blogspot.com http://identi.ca/giallu - http://twitter.com/giallu -- All of the data generated in your

Re: [Rdkit-discuss] MolDrawing.registerCanvas('agg') missing in SVN

. Is having a black variant enough? that would imply just swapping the background color with the default bond color -- Gianluca Sforna http://morefedora.blogspot.com http://identi.ca/giallu - http://twitter.com/giallu

Re: [Rdkit-discuss] [Rdkit-devel] Beta of Q3 2010 release up

the archive file names as well? -- Gianluca Sforna http://morefedora.blogspot.com http://identi.ca/giallu - http://twitter.com/giallu -- Start uncovering the many advantages of virtual appliances and start using them

Re: [Rdkit-discuss] Help wanted: packaging the RDKit

On Fri, Jul 2, 2010 at 10:31 AM, Greg Landrum greg.land...@gmail.com wrote: Do any of you have experience of this? I'm a Fedora package maintainer so I guess I can have a look at it. -- Gianluca Sforna http://morefedora.blogspot.com http://www.linkedin.com/in/gianlucasforna

Re: [Rdkit-discuss] Q4_2009 do not build out of the box

On Mon, Mar 1, 2010 at 9:26 PM, Greg Landrum greg.land...@gmail.com wrote: On Mon, Mar 1, 2010 at 11:24 AM, Gianluca Sforna gia...@gmail.com wrote: Sorry for resurrecting this topic, but I just realized the Q4 2009 release tarball do not compile out of the box due to the previously discussed

[Rdkit-discuss] Q4_2009 do not build out of the box

REQUIRED) include_directories(${PYTHON_NUMPY_INCLUDE_PATH}) to let the build proceed as expected. HTH Gianluca -- Gianluca Sforna http://morefedora.blogspot.com http://www.linkedin.com/in/gianlucasforna -- Download Intel

Re: [Rdkit-discuss] beta of Q4 2009 release up

On Thu, Jan 21, 2010 at 8:58 AM, Gianluca Sforna gia...@gmail.com wrote: On Wed, Jan 20, 2010 at 7:59 PM, Greg Landrum greg.land...@gmail.com wrote: The reason for the hackery is to allow an alternate python installation to be used on systems that have more than one. This was the only way I

Re: [Rdkit-discuss] beta of Q4 2009 release up

with the python versions. sorry for mixing up the two topics. For python, it seems you need to set PYTHON_INCLUDE_PATH and PYTHON_LIBRARY in order to use your own version -- Gianluca Sforna http://morefedora.blogspot.com http://www.linkedin.com/in/gianlucasforna

Re: [Rdkit-discuss] beta of Q4 2009 release up

On Thu, Jan 21, 2010 at 2:23 PM, Greg Landrum greg.land...@gmail.com wrote: On Thu, Jan 21, 2010 at 11:32 AM, Gianluca Sforna gia...@gmail.com wrote: For python, it seems you need to set PYTHON_INCLUDE_PATH and PYTHON_LIBRARY in order to use your own version exactly, and that's what

Re: [Rdkit-discuss] beta of Q4 2009 release up

the patch I proposed and report if things improves -- Gianluca Sforna http://morefedora.blogspot.com http://www.linkedin.com/in/gianlucasforna -- Throughout its 18-year history, RSA Conference consistently attracts the world's

Re: [Rdkit-discuss] beta of Q4 2009 release up

(${PYTHON_LIBRARIES}) + find_package(NumPy REQUIRED) include_directories(${PYTHON_NUMPY_INCLUDE_PATH}) Cheers G. -- Gianluca Sforna http://morefedora.blogspot.com http://www.linkedin.com/in/gianlucasforna -- Throughout

Re: [Rdkit-discuss] beta of Q4 2009 release up

the paths to your preferred boost installation? -- Gianluca Sforna http://morefedora.blogspot.com http://www.linkedin.com/in/gianlucasforna -- Throughout its 18-year history, RSA Conference consistently attracts the world's

Re: [Rdkit-discuss] Please help test the new build system

On Sun, Jan 17, 2010 at 10:14 AM, Greg Landrum greg.land...@gmail.com wrote: I have successfully specified an alternate boost directory using cmake v2.8.0, but I guess Fedora 12 comes with v2.6. Yes, for the records it's 2.6.4. -- Gianluca Sforna http://morefedora.blogspot.com http