Re: [OpenBabel-Devel] Maven

2012-06-11 Thread N David Brown
By the way - it's very simple to create a local repository dependency (on your machine): mvn install:install-file -Dfile=your-artifact-1.0.jar \ -DgroupId=org.some.group \ -DartifactId=your-artifact \ -Dversion=1.0 \

[OpenBabel-Devel] Maven

2012-06-11 Thread N David Brown
Hi all, I can't see OpenBabel in any Maven repositories, though I've found a private project with JOpenBabel mavenised. Is there any intention to mavenise the Java wrappers of OpenBabel? Most Java projects are built through Maven nowadays, and it would be nice to have the convenience of adding

Re: [OpenBabel-Devel] Tautomer Test vs. Canonical SMILES

2012-06-11 Thread Noel O'Boyle
Fixed in r4870 by forcing reperception of aromaticity, etc. before calling the functor. I think this is a bug fix actually. Previously, the test only passed as a side-effect of the molecule copy operation in smiles output (I think). All tests now pass. Hopefully we can keep it that way. :-) -

[OpenBabel-Devel] [ openbabel-Bugs-3534201 ] obabel segfaults on misformed command line

2012-06-11 Thread SourceForge . net
Bugs item #3534201, was opened at 2012-06-10 13:48 Message generated for change (Tracker Item Submitted) made by baoilleach You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3534201group_id=40728 Please note that this message will contain a full copy of the

Re: [OpenBabel-Devel] CMake and VCBuild issue

2012-06-11 Thread Noel O'Boyle
Have you tried first of all compiling it as per the instructions? http://openbabel.org/docs/dev/Installation/install.html#windows-msvc Here is the command that ctest uses on my machine to compile everything at the command-line: C:\PROGRA~2\MICROS~1.0\Common7\IDE\VCExpress.exe openbabel.sln /build

Re: [OpenBabel-Devel] CMake and VCBuild issue

2012-06-11 Thread N David Brown
Hi Noel, I've built it the standard way several times before. I'm now configuring my own maven project to build the latest version from SVN automatically if it's not found locally. The configuration's set up for CMake, it's just the build command I need to get right. Thank you for providing that

Re: [OpenBabel-Devel] CMake and VCBuild issue

2012-06-11 Thread Noel O'Boyle
Sounds good. Sorry - I just realised something that should make things easier. Perhaps the best way to do this is actually via a ctest script as you don't have to hardcode the compiler path. The one we use for our nightly builds does 4 things: (1) check out of SVN (or else update), (2) build, (3)

Re: [OpenBabel-Devel] CMake and VCBuild issue

2012-06-11 Thread N David Brown
If it's not much trouble that would be great, Noel. I'd not heard of CTest but have looked it up now - it makes perfect sense to have CMake perform the build. This is actually ideal, as it should allow me to create a complete pom.xml for OB that you can include in the JAR from now on. If done