InChI-Wasm

Compiles a molfile to InChI function written in C and linked to the InChI C library to WebAssembly. There is also a task to compile a macOS dylib for comparison.

Instructions

For an overview of the procedure, see Compiling C to WebAssembly and Running It - without Emscripten.

To summarize:

1. Install LLVM on your platform. On macOS, that probably means installing through Homebrew.
2. Activate LLVM, if necessary. macOS users will need to append the LLVM bin path to the PATH environment variable. Something like export PATH=/usr/local/opt/llvm/bin:$PATH should work.
3. Verify that LLVM is working with llc --version. The output should include wasm32 and wasm64.
4. Clone, compile, and install wasi-libc.
5. Copy the file libclang_rt.builtins-wasm32.a to your local LLVM bin/wasi directory.

From there, you can compile this project with:

cd inchi-wasm
bin/build-wasm.sh

Use the script bin/build-dylib.sh to build a macOS dynamic library. This can be used from a Node.js environment and may be helpful for benchmarking purposes. Build scripts for other platforms can uses this script as a starting point.

The build directory contains a complete WebAssembly distribution and test. To run it start a local Web server and browse to dist/index.html.

License

InchI-Wasm is distributed under the terms of the MIT License. See LICENSE-MIT and COPYRIGHT for details.

This project uses an unmodified copy (git submodule) of the InChI Core Software v1.06, which is licensed under the terms of the InChI Trust License.