Cannot import the module with require('rdkit')

[martin-sicho]

I wanted to test the library (would be really cool to have RDKit in the browser!), but unfortunately was unable to get it to work. I am using what I assume is the latest version (0.5.1) from npm.

When I execute the following code:

const RDKit = require('rdkit'); // using 'rdkit' because 'RDKit' from the README did not work for me

I am getting the following error:

TypeError: rdkit.wast is not a valid URL.

Callstack:

locateFile rdkit.js:21
    integrateWasmJS rdkit.js:63
    rdk rdkit.js:63
    js rdkit.js:77
    __WEBPACK_AMD_DEFINE_RESULT__ rdkit.js:52
    js rdkit.js:53
    js rdkit.js:59
    js 1.chunk.js:289967
    Webpack 28

Relevant code bit:

  18 | var path = getCurrentPathBrowser();
  19 | var Module = {
  20 |   locateFile(url) {
> 21 |     return new URL(url, path).href;
     | ^  22 |   },
  23 |   onRuntimeInitialized() {
  24 |     resolve();

Any idea? Thanks!

[greglandrum]

Hi @martin-sicho : we aren't really supporting this any more (and should indicate that in the documentation). There's a new JS wrapper for using the RDKit in the browser that's part of the core RDKit. There's a description with some background info here: http://rdkit.blogspot.com/2019/11/introducing-new-rdkit-javascript.html

[martin-sicho]

Ahh, ok. For some reason I thought this was the new wrapper (I guess I was too excited to notice the project has not seen any real updates lately). Thanks!

[thegodone]

please use the more supported version https://github.com/rdkit/rdkit/tree/master/Code/MinimalLib

[rmrmg]

@greglandrum Maybe it worth to update npm package to currect version or create new npm package?

[greglandrum]

We should probably delete the npm package. I'd be happy to make uploading the new package to npm part of the standard rdkit release cycle if

1. it's ok to upload large wasm files to npm
2. someone explains to me how to do it Note that I have limited time to invest in figuring this stuff out.