Re: [OpenBabel-Devel] Conda Windows

2016-07-05 Thread Geoffrey Hutchison
> If we go for openbabel channel on anaconda.org we > should set it up, I already registered an openbabel organization on anaconda.org. I'm happy to add people/owners as needed. -Geoff -- Attend

Re: [OpenBabel-Devel] Conda Windows

2016-07-05 Thread Maciek Wójcikowski
The linux and MacOS builds are fairly ready. I'd say Windows is 95% done (see the other thread). I think we should build all archs in 64bit. If we go for openbabel channel on anaconda.org we should set it up, then we could set up Anaconda Cloud builds for linux. For automated builds via CI some ad

Re: [OpenBabel-Devel] Conda Windows

2016-07-05 Thread Geoffrey Hutchison
> That is fine with me. The beauty of having openbabel channel is that you can > have "devel" label for current git master and make testing easier. This sounds great. As a conda user, it would make life much simpler. What can I do to help make it happen? > Other than that I see no reasons not t

Re: [OpenBabel-Devel] Conda Windows

2016-07-05 Thread Björn Grüning
Hi Maciek, Am 03.07.2016 um 21:42 schrieb Maciek Wójcikowski: > Hi, > > The Conda build for windows is nearly done. The final thing missing is the > data directory (BABEL_DATADIR) which is placed in bin/data directory by > CMake. Where would the library search for it when BABEL_DATADIR is empty?

Re: [OpenBabel-Devel] Conda Windows

2016-07-04 Thread Maciek Wójcikowski
That is fine with me. The beauty of having openbabel channel is that you can have "devel" label for current git master and make testing easier. Other than that I see no reasons not to go with stable builds somewhere else as conda-forge/bioconda seam fit for what we try to achieve. Pozdrawiam,

Re: [OpenBabel-Devel] Conda Windows

2016-07-03 Thread Maciek Wójcikowski
Hi, The Conda build for windows is nearly done. The final thing missing is the data directory (BABEL_DATADIR) which is placed in bin/data directory by CMake. Where would the library search for it when BABEL_DATADIR is empty? I've tried few of them, but with no success. Unfortunately Bioconda does

Re: [OpenBabel-Devel] Conda Windows

2016-07-03 Thread Maciek Wójcikowski
BTW, the link to repo and appveyor: https://github.com/mwojcikowski/openbabel-packages https://ci.appveyor.com/project/mwojcikowski/openbabel-packages Pozdrawiam, | Best regards, Maciek Wójcikowski mac...@wojcikowski.pl 2016-07-03 21:42 GMT+02:00 Maciek Wójcikowski : > Hi, > > The Conda b

[OpenBabel-Devel] Conda Windows

2016-07-03 Thread Noel O'Boyle
Hi Maciej, Regarding your work on setting up a Windows conda build, it might be good to discuss with Björn on getting this into bioconda. Bioconda already has the Linux builds. - Noel -- Attend Shape: An AT&T Tech Expo Ju