Hi Greg and everybody involved, thanks for your great software - unfortunately, I have some building pains. I recently decided to go from RDKit 2015-03 to 2015-09 (yes I was late) , everything still on python 2.7.
As part of this migration I decided to give Conda a try and it worked nicely in my Docker container (which is very similar to the the official Conda RDKit container at https://github.com/rdkit/conda-rdkit but starts from Debian Jessie instead of Centos6 - however it still clones from this repository). Unfortunately, since you switched to RDKit 2016-03 my troubles began. I know your are still working on this, but as soon as RDKit starts to build in the container, the build process breaks. If I go back to revision 56c3a779f873c4e6f6dbbdc87d67d106f04c140d (the last one before RDKit 2016-03 occurs) it at least builds the python 2.7 part again but breaks later for python 3.4 and 3.5. Just in order to maybe get a clue what's wrong, I started playing around with the original Docker build on Centos 6 (i.e. the original Dockerfile), but I observe the same behavior - the build breaks somewhere. And even there, when I go back to revision 56c3a779f873c4e6f6dbbdc87d67d106f04c140d (i.e. replace the word "development" by this revision number in line 26 of the Dockerfile and uncomment the line - otherwise it is unchanged) , the build breaks after the python 2.7 part is finished (I attach the end of the build log below). Is that something you are aware of? Or is this a problem only I observe? I can also give more documentation if this is needed, however, I just wanted to get a first opinion. I also already tried builds with the development branch (besides the master branch, of course), unfortunately they also break, too. Thanks a lot, Markus BUILD END: rdkit-postgresql-2015.09.2-py27_1 Nothing to test for: rdkit-postgresql-2015.09.2-py27_1 # If you want to upload this package to anaconda.org later, type: # # $ anaconda upload /home/rdkit/miniconda/conda-bld/linux-64/rdkit-postgresql-2015.09.2-py27_1.tar.bz2 # # To have conda build upload to anaconda.org automatically, use # $ conda config --set anaconda_upload yes ---> 5898063548d9 Removing intermediate container 8af783478ecc Step 24 : RUN CONDA_PY=34 conda build boost --quiet --no-anaconda-upload ---> Running in 01043f80baa4 Using Anaconda Cloud api site https://api.anaconda.org Removing old build environment Removing old work directory BUILD START: boost-1.56.0-py34_3 Fetching package metadata: ...... Solving package specifications: .... The following specifications were found to be in conflict: - rdkit (target=rdkit-2015.09.2-np110py27_0.tar.bz2) -> boost ==1.56.0 - rdkit (target=rdkit-2015.09.2-np110py27_0.tar.bz2) -> python 2.7* - zlib Use "conda info <package>" to see the dependencies for each package. Missing dependency boost, but found recipe directory, so building boost first Error: The following specifications were found to be in conflict: - rdkit (target=rdkit-2015.09.2-np110py27_0.tar.bz2) -> boost ==1.56.0 - rdkit (target=rdkit-2015.09.2-np110py27_0.tar.bz2) -> python 2.7* - zlib Use "conda info <package>" to see the dependencies for each package. The command '/bin/sh -c CONDA_PY=34 conda build boost --quiet --no-anaconda-upload' returned a non-zero code: 1 ------------------------------------------------------------------------------ Find and fix application performance issues faster with Applications Manager Applications Manager provides deep performance insights into multiple tiers of your business applications. It resolves application problems quickly and reduces your MTTR. Get your free trial! https://ad.doubleclick.net/ddm/clk/302982198;130105516;z _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
