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Add information on building RDkit on macOS using conda (#1180)

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* Add information on building RDkit on macOS using conda

Specific information for setting up the environment, building and
testing.

* Remove editing of the CMakeCache file

* Changes to conda installation.

* Add CAIRO_SUPPORT to cmake command

However installation with these settings doesn't work due to missing
CAIRO settings in this environment.

* Modified the conda install statement
This commit is contained in:
gedeck
2016-12-16 11:39:45 -05:00
committed by Greg Landrum
parent 03d9fcaead
commit 1453bcd7f9
1 changed files with 39 additions and 1 deletions
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Docs/Book/Install.md
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@@ -33,7 +33,45 @@ Windows users will use a slightly different command:
### How to build from source with Conda
For more details on building from source with Conda, see the [conda-rdkit repository](https://github.com/rdkit/conda-rdkit)
For more details on building from source with Conda, see the [conda-rdkit repository](https://github.com/rdkit/conda-rdkit).
#### macOS 10.12 (Sierra): Python 3 environment
The following commands will create a development environment for macOS Sierra and Python 3. Download
Miniconda3-latest-MacOSX-x86_64.sh from [Conda](http://conda.pydata.org/miniconda.html) and run these
following commands:
bash Miniconda3-latest-MacOSX-x86_64.sh
conda install numpy matplotlib
conda install cmake
conda install --channel rdkit boost
conda install --channel rdkit nox
conda install --channel rdkit cairo
conda install pillow
conda install anaconda
conda install --channel conda-forge eigen
conda install --channel conda-forge pkg-config
Optionally, add the following packages to your environment as useful development tools.
pip install yapf==0.11.1
pip install coverage==3.7.1
Then follow the usual build instructions. The PYTHON\_INCLUDE\_DIR must be set in the
cmake command.
PYROOT=<path to miniconda3>
cmake -DPYTHON_INCLUDE_DIR=$PYROOT/include/python3.5m \
-DRDK_BUILD_AVALON_SUPPORT=ON \
-DRDK_BUILD_CAIRO_SUPPORT=ON \
-DRDK_BUILD_INCHI_SUPPORT=ON \
..
Once "make" and "make install" completed successfully, use the following command to run the tests:
RDBASE=$RDBASE DYLD_FALLBACK_LIBRARY_PATH="$RDBASE/lib:$PYROOT/lib" PYTHONPATH=$RDBASE ctest
This is required due to the [System Integrity Protection SIP](https://en.wikipedia.org/wiki/System_Integrity_Protection)
introduced in more recent macOS versions.
### Installing and using PostgreSQL and the RDKit PostgreSQL cartridge from a conda environment