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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
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