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26 lines
1.1 KiB
Plaintext
26 lines
1.1 KiB
Plaintext
To build the optional InChI support, you have to download the official InChI
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software distribution from the IUPAC website, and place the source code in this
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directory. Please follow these instructions.
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1. Download the zip file from
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http://www.inchi-trust.org/wp/wp-content/uploads/2014/06/INCHI-1-API.zip
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2. Unzip the package, which creates a INCHI-1-API folder.
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3. In the unzipped folder, find INCHI-1-API/INCHI_API/inchi_dll, under which
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there are 73 files including things like ichi.h and ikey_dll.c. Create a
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'src' directory inside the same directory that contains this README file
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you are readingCopy, and copy all those 73 files 'src' you have just
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created. The actual path is '$RDBASE/External/INCHI-API/src'.
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4. Rerun `cmake` with `-DRDK_BUILD_INCHI_SUPPORT=ON` as an additional argument
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Alternatively, if you are on a UNIX variant system (Linux, Mac OS X, Cygwin,
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etc), you may invoke the included script `download-inchi.sh`:
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$ bash download-inchi.sh
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When the download is successful, rerun`cmake` with
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`-DRDK_BUILD_INCHI_SUPPORT=ON` as an additional argument
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