To build the optional InChI support, run cmake with the -DRDK_BUILD_INCHI_SUPPORT=ON argument. If InChI sources could not be found, the CMake build system will attempt to download the InChI distribution from the following URL: http://www.inchi-trust.org/wp/wp-content/uploads/2014/06/INCHI-1-API.zip The default download URL and MD5 checksum can be overridden with the following CMake definitions: INCHI_URL INCHI_MD5SUM If INCHI_URL is set to "", no download will be attempted. If INCHI_MD5SUM is set to "", no MD5 checksum will be performed. If you prefer to install InChI sources manually, please follow these instructions: 1. Download the zip file from http://www.inchi-trust.org/wp/wp-content/uploads/2014/06/INCHI-1-API.zip 2. Unzip the package, which creates a INCHI-1-API folder. 3. In the unzipped folder, find INCHI-1-API/INCHI_API/inchi_dll, under which there are 73 files including things like ichi.h and ikey_dll.c. Create a 'src' directory inside the same directory that contains this README file you are readingCopy, and copy all those 73 files 'src' you have just created. The actual path is '$RDBASE/External/INCHI-API/src'. 4. Rerun `cmake` with `-DRDK_BUILD_INCHI_SUPPORT=ON` as an additional argument Alternatively, if you are on a UNIX variant system (Linux, Mac OS X, Cygwin, etc), you may invoke the included script `download-inchi.sh`: $ bash download-inchi.sh When the download is successful, rerun`cmake` with `-DRDK_BUILD_INCHI_SUPPORT=ON` as an additional argument