Dear Michael, On Sun, Mar 4, 2012 at 8:59 PM, Michael Banck <mba...@debian.org> wrote: > On Sun, Jan 15, 2012 at 10:12:03AM +0100, Greg Landrum wrote: >> I'm very happy to announce that the next version of the RDKit -- >> 2011.12 (a.k.a Q4 2011) -- is released. > > I have uploaded 2011.12 to Debian now.
Great! Thanks. > Several minor issues have turned up, I believe they apply to previous > versions as well though: most likely. > 1. Running the test-suite in-place is either impossible or really tricky > as the cmake puts the compiled objects below obj-* and leaves the python > code (including the .pyc byte-code files) in the main source tree. I > had to give up and just copy over rdkit recursively into obj-*. I'm not sure what you mean here. If you're doing an out-of-source build (which it sounds like you are), then you need to do a "make install" to get the built .so files copied into the $RDBASE/rdkit directory so that the python tests can pass. > 2. cmake clean does not remove the .pyc files it generated. > > 3. Some .sqlt files appear in Projects/DbCLI/TestData/bzr (after running > the test suite I assume) and they do not get removed by cmake clean > either. Both of those are easy to fix; I'll do it in the next day or so. > 4. The following files get generated during build and are not cleaned by > cmake: > > rdkit-201112/Code/RDGeneral/versions.h > rdkit-201112/Code/GraphMol/SmilesParse/smiles.tab.hpp > rdkit-201112/Code/GraphMol/SmilesParse/lex.yysmarts.cpp > rdkit-201112/Code/GraphMol/SmilesParse/smarts.tab.cpp > rdkit-201112/Code/GraphMol/SmilesParse/smarts.tab.hpp > rdkit-201112/Code/GraphMol/SmilesParse/lex.yysmiles.cpp > rdkit-201112/Code/GraphMol/SmilesParse/smiles.tab.cpp > rdkit-201112/Code/GraphMol/Depictor/test_data/collisions.sdf > rdkit-201112/Code/GraphMol/Depictor/test_data/test1out.sd > rdkit-201112/Code/GraphMol/Depictor/test_data/cis_trans_cpp.sdf > rdkit-201112/Code/GraphMol/Depictor/test_data/first_200.sdf > rdkit-201112/Code/GraphMol/FileParsers/test_data/outNCI_few.sdf > rdkit-201112/Code/GraphMol/FileParsers/test_data/outSmiles.csv > rdkit-201112/Code/GraphMol/FileParsers/test_data/cdk2_stereo.sdf > rdkit-201112/Code/GraphMol/FileParsers/test_data/outNCI_few.tdt > rdkit-201112/Code/GraphMol/FileParsers/test_data/outNCI_first_200.props.sdf > rdkit-201112/Code/GraphMol/SLNParse/sln.tab.cpp > rdkit-201112/Code/GraphMol/SLNParse/lex.yysln.cpp > rdkit-201112/Code/GraphMol/SLNParse/sln.tab.hpp > rdkit-201112/Code/GraphMol/Wrap/test_data/outNCI_few.sdf > rdkit-201112/Code/GraphMol/Wrap/test_data/outSmiles.txt > rdkit-201112/rdkit/Chem/inchi.py Up to this point I was fine, and can fix the problem, but this one: > rdkit-201112/rdkit/__init__.py is in svn, so it shouldn't be showing up as something that didn't originally exist. > > It could be this is due to how Debian runs cmake (we set > -DRDK_INSTALL_INTREE=OFF and -DRDK_INSTALL_STATIC_LIBS=OFF) currently, > not sure. If not, I think cmake and/or setup.py (is the latter one even > ran during build) should not create/modify files in the main tree, but > put those under obj-*. to answer the question that's embedded in here: no, setup.py is not used for anything. I should remove it from svn. > Anyway, I admit I haven't digged too deep into this yet, so I might be > talking total nonsense. definitely not. :-) -greg ------------------------------------------------------------------------------ Keep Your Developer Skills Current with LearnDevNow! The most comprehensive online learning library for Microsoft developers is just $99.99! Visual Studio, SharePoint, SQL - plus HTML5, CSS3, MVC3, Metro Style Apps, more. Free future releases when you subscribe now! http://p.sf.net/sfu/learndevnow-d2d _______________________________________________ Rdkit-devel mailing list Rdkit-devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-devel
