Re: [Rdkit-discuss] conda build instructions for OSX?
On Tue, Jan 2, 2018 at 4:18 PM, Brian Cole wrote: > Figured out by sleuthing around the conda-rdkit repo that the 'master' > branch is really old. Looks like the 'development' branch is the branch > that works. If you switch over to the 'development' branch then the 'conda > build boost && conda build rdkit' works. > > Now the next trick I'm still stuck on is how to build RDKit's master > branch using conda. Changing `git_rev` in rdkit/meta.yaml didn't have the > desired effect. > Changing git_rev should do it. You may be being confused by the way the version number is automatically constructed; the code looks at whatever the most recent tag was from the branch you're using and picks that as the base for the version number. It's bit confusing, but you can manually over-ride by changing the definition of version at the top of the meta.yaml file. -greg -- Check out the vibrant tech community on one of the world's most engaging tech sites, Slashdot.org! http://sdm.link/slashdot___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
Re: [Rdkit-discuss] conda build instructions for OSX?
I am not 100% sure what your motivation is to build a certain rev or the master branch, but let me guess: you want to be independent from further changes in the development branch. Well, my suggestion for this: fork the conda-rdkit repro on github and use your fork for future builds, i.e. the repro is stable until you decide to merge future changes from the original repro Having your own fork would also allow you to merge the development branch into the master branch of your fork if this is a requirement (although I don't see any differences between using development or the master branch for builds). On Tue, Jan 2, 2018 at 4:18 PM, Brian Cole wrote: > Figured out by sleuthing around the conda-rdkit repo that the 'master' > branch is really old. Looks like the 'development' branch is the branch > that works. If you switch over to the 'development' branch then the 'conda > build boost && conda build rdkit' works. > > Now the next trick I'm still stuck on is how to build RDKit's master > branch using conda. Changing `git_rev` in rdkit/meta.yaml didn't have the > desired effect. > > -Brian > > On Wed, Dec 27, 2017 at 5:08 PM, Brian Cole wrote: > >> Trying to 'conda build rdkit' as described in the >> https://github.com/rdkit/conda-rdkit README to no success. Are there any >> OSX 'conda build' instructions tucked away somewhere? >> >> It's currently failing on the cairo dependency: >> >> -- Checking for one of the modules 'cairo' >> CMake Error at /Users/coleb/anaconda2/conda-b >> ld/rdkit_1514412408124/_h_env_placehold_placehold_placehold_ >> placehold_placehold_placehold_placehold_placehold_placehold_ >> placehold_placehold_placehold_placehold_placehold_placehold_ >> placehold_placehold_placehold_placehold_place/share/cmake-3. >> 9/Modules/FindPkgConfig.cmake:640 (message): >> None of the required 'cairo' found >> Call Stack (most recent call first): >> Code/cmake/Modules/FindCairo.cmake:23 (PKG_SEARCH_MODULE) >> Code/GraphMol/MolDraw2D/CMakeLists.txt:31 (find_package) >> >> >> CMake Error at Code/cmake/Modules/FindCairo.cmake:38 (MESSAGE): >> Could not find Cairo >> Call Stack (most recent call first): >> Code/GraphMol/MolDraw2D/CMakeLists.txt:31 (find_package) >> >> >> -- Boost version: 1.56.0 >> -- Found the following Boost libraries: >> -- regex >> CMake Error: The following variables are used in this project, but they >> are set to NOTFOUND. >> Please set them or make sure they are set and tested correctly in the >> CMake files: >> CAIRO_INCLUDE_DIRS (ADVANCED) >>used as include directory in directory /Users/coleb/anaconda2/conda-b >> ld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D >>used as include directory in directory /Users/coleb/anaconda2/conda-b >> ld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D >>used as include directory in directory /Users/coleb/anaconda2/conda-b >> ld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D >>used as include directory in directory /Users/coleb/anaconda2/conda-b >> ld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D >>used as include directory in directory /Users/coleb/anaconda2/conda-b >> ld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D >>used as include directory in directory /Users/coleb/anaconda2/conda-b >> ld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D >>used as include directory in directory /Users/coleb/anaconda2/conda-b >> ld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D >>used as include directory in directory /Users/coleb/anaconda2/conda-b >> ld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D >>used as include directory in directory /Users/coleb/anaconda2/conda-b >> ld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D >>used as include directory in directory /Users/coleb/anaconda2/conda-b >> ld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D >>used as include directory in directory /Users/coleb/anaconda2/conda-b >> ld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D >>used as include directory in directory /Users/coleb/anaconda2/conda-b >> ld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D/Wrap >>used as include directory in directory /Users/coleb/anaconda2/conda-b >> ld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D/Wrap >>used as include directory in directory /Users/coleb/anaconda2/conda-b >> ld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D/Wrap >>used as include directory in directory /Users/coleb/anaconda2/conda-b >> ld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D/Wrap >>used as include directory in directory /Users/coleb/anaconda2/conda-b >> ld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D/Wrap >>used as include directory in directory /Users/coleb/anaconda2/conda-b >> ld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D/Wrap >>used as include directory in directory /Users/coleb/anaconda2/conda-b >> ld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D/Wrap >>used as include directory in directory /Users/coleb/anaconda2/conda-b >> ld
Re: [Rdkit-discuss] conda build instructions for OSX?
Figured out by sleuthing around the conda-rdkit repo that the 'master' branch is really old. Looks like the 'development' branch is the branch that works. If you switch over to the 'development' branch then the 'conda build boost && conda build rdkit' works. Now the next trick I'm still stuck on is how to build RDKit's master branch using conda. Changing `git_rev` in rdkit/meta.yaml didn't have the desired effect. -Brian On Wed, Dec 27, 2017 at 5:08 PM, Brian Cole wrote: > Trying to 'conda build rdkit' as described in the > https://github.com/rdkit/conda-rdkit README to no success. Are there any > OSX 'conda build' instructions tucked away somewhere? > > It's currently failing on the cairo dependency: > > -- Checking for one of the modules 'cairo' > CMake Error at /Users/coleb/anaconda2/conda-bld/rdkit_1514412408124/_h_ > env_placehold_placehold_placehold_placehold_placehold_ > placehold_placehold_placehold_placehold_placehold_placehold_ > placehold_placehold_placehold_placehold_placehold_placehold_ > placehold_placehold_place/share/cmake-3.9/Modules/FindPkgConfig.cmake:640 > (message): > None of the required 'cairo' found > Call Stack (most recent call first): > Code/cmake/Modules/FindCairo.cmake:23 (PKG_SEARCH_MODULE) > Code/GraphMol/MolDraw2D/CMakeLists.txt:31 (find_package) > > > CMake Error at Code/cmake/Modules/FindCairo.cmake:38 (MESSAGE): > Could not find Cairo > Call Stack (most recent call first): > Code/GraphMol/MolDraw2D/CMakeLists.txt:31 (find_package) > > > -- Boost version: 1.56.0 > -- Found the following Boost libraries: > -- regex > CMake Error: The following variables are used in this project, but they > are set to NOTFOUND. > Please set them or make sure they are set and tested correctly in the > CMake files: > CAIRO_INCLUDE_DIRS (ADVANCED) >used as include directory in directory /Users/coleb/anaconda2/conda- > bld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D >used as include directory in directory /Users/coleb/anaconda2/conda- > bld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D >used as include directory in directory /Users/coleb/anaconda2/conda- > bld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D >used as include directory in directory /Users/coleb/anaconda2/conda- > bld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D >used as include directory in directory /Users/coleb/anaconda2/conda- > bld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D >used as include directory in directory /Users/coleb/anaconda2/conda- > bld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D >used as include directory in directory /Users/coleb/anaconda2/conda- > bld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D >used as include directory in directory /Users/coleb/anaconda2/conda- > bld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D >used as include directory in directory /Users/coleb/anaconda2/conda- > bld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D >used as include directory in directory /Users/coleb/anaconda2/conda- > bld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D >used as include directory in directory /Users/coleb/anaconda2/conda- > bld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D >used as include directory in directory /Users/coleb/anaconda2/conda- > bld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D/Wrap >used as include directory in directory /Users/coleb/anaconda2/conda- > bld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D/Wrap >used as include directory in directory /Users/coleb/anaconda2/conda- > bld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D/Wrap >used as include directory in directory /Users/coleb/anaconda2/conda- > bld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D/Wrap >used as include directory in directory /Users/coleb/anaconda2/conda- > bld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D/Wrap >used as include directory in directory /Users/coleb/anaconda2/conda- > bld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D/Wrap >used as include directory in directory /Users/coleb/anaconda2/conda- > bld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D/Wrap >used as include directory in directory /Users/coleb/anaconda2/conda- > bld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D/Wrap >used as include directory in directory /Users/coleb/anaconda2/conda- > bld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D/Wrap >used as include directory in directory /Users/coleb/anaconda2/conda- > bld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D/Wrap > > -- Configuring incomplete, errors occurred! > See also "/Users/coleb/anaconda2/conda-bld/rdkit_1514412408124/work/ > CMakeFiles/CMakeOutput.log". > Traceback (most recent call last): > File "/Users/coleb/anaconda2/bin/conda-build", line 11, in > sys.exit(main()) > File > "/Users/coleb/anaconda2/lib/python2.7/site-packages/conda_build/cli/main_build.py", > line 388, in main > execute(sys.argv[1:]) > File > "/U
[Rdkit-discuss] conda build instructions for OSX?
Trying to 'conda build rdkit' as described in the https://github.com/rdkit/conda-rdkit README to no success. Are there any OSX 'conda build' instructions tucked away somewhere? It's currently failing on the cairo dependency: -- Checking for one of the modules 'cairo' CMake Error at /Users/coleb/anaconda2/conda-bld/rdkit_1514412408124/_h_env_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_place/share/cmake-3.9/Modules/FindPkgConfig.cmake:640 (message): None of the required 'cairo' found Call Stack (most recent call first): Code/cmake/Modules/FindCairo.cmake:23 (PKG_SEARCH_MODULE) Code/GraphMol/MolDraw2D/CMakeLists.txt:31 (find_package) CMake Error at Code/cmake/Modules/FindCairo.cmake:38 (MESSAGE): Could not find Cairo Call Stack (most recent call first): Code/GraphMol/MolDraw2D/CMakeLists.txt:31 (find_package) -- Boost version: 1.56.0 -- Found the following Boost libraries: -- regex CMake Error: The following variables are used in this project, but they are set to NOTFOUND. Please set them or make sure they are set and tested correctly in the CMake files: CAIRO_INCLUDE_DIRS (ADVANCED) used as include directory in directory /Users/coleb/anaconda2/conda-bld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D used as include directory in directory /Users/coleb/anaconda2/conda-bld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D used as include directory in directory /Users/coleb/anaconda2/conda-bld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D used as include directory in directory /Users/coleb/anaconda2/conda-bld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D used as include directory in directory /Users/coleb/anaconda2/conda-bld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D used as include directory in directory /Users/coleb/anaconda2/conda-bld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D used as include directory in directory /Users/coleb/anaconda2/conda-bld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D used as include directory in directory /Users/coleb/anaconda2/conda-bld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D used as include directory in directory /Users/coleb/anaconda2/conda-bld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D used as include directory in directory /Users/coleb/anaconda2/conda-bld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D used as include directory in directory /Users/coleb/anaconda2/conda-bld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D used as include directory in directory /Users/coleb/anaconda2/conda-bld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D/Wrap used as include directory in directory /Users/coleb/anaconda2/conda-bld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D/Wrap used as include directory in directory /Users/coleb/anaconda2/conda-bld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D/Wrap used as include directory in directory /Users/coleb/anaconda2/conda-bld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D/Wrap used as include directory in directory /Users/coleb/anaconda2/conda-bld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D/Wrap used as include directory in directory /Users/coleb/anaconda2/conda-bld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D/Wrap used as include directory in directory /Users/coleb/anaconda2/conda-bld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D/Wrap used as include directory in directory /Users/coleb/anaconda2/conda-bld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D/Wrap used as include directory in directory /Users/coleb/anaconda2/conda-bld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D/Wrap used as include directory in directory /Users/coleb/anaconda2/conda-bld/rdkit_1514412408124/work/Code/GraphMol/MolDraw2D/Wrap -- Configuring incomplete, errors occurred! See also "/Users/coleb/anaconda2/conda-bld/rdkit_1514412408124/work/CMakeFiles/CMakeOutput.log". Traceback (most recent call last): File "/Users/coleb/anaconda2/bin/conda-build", line 11, in sys.exit(main()) File "/Users/coleb/anaconda2/lib/python2.7/site-packages/conda_build/cli/main_build.py", line 388, in main execute(sys.argv[1:]) File "/Users/coleb/anaconda2/lib/python2.7/site-packages/conda_build/cli/main_build.py", line 379, in execute noverify=args.no_verify) File "/Users/coleb/anaconda2/lib/python2.7/site-packages/conda_build/api.py", line 185, in build need_source_download=need_source_download, config=config, variants=variants) File "/Users/coleb/anaconda2/lib/python2.7/site-packages/conda_build/build.py", line 1771, in build_tree notest=notest, File "/Users/coleb/anaconda2/lib/python2.7/site-packages/conda_build/build.py", line 1121, in build utils.check_call_env(cmd, env=env, cwd=src_dir) File "/Users/coleb/anaconda2/lib/python2.7/site-packages/conda_build/utils.py", line
