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IUPAC-InChI / RInChI

Repository of the IUPAC - RInChI group
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binary for Apple M1 #13

Open uli-f opened 2 years ago

uli-f commented 2 years ago

Is there a binary for the Apple M1?

PS Much appreciated that you moved this project to GitHub now 🙂

janholstjensen commented 2 years ago

Hi Uli,

Thanks for participating. We actually discussed Mac binaries on an RInChI meeting April 25th and got an effort started to produce Mac-compatible makefiles. So with a little luck we should soon be able to produce Mac binaries reliably :-).

Cheers -- Jan

uli-f commented 2 years ago

Thanks for the update Jan, looking forward to testing the build 😃

janholstjensen commented 2 years ago

First native image on a Mac now seen: image

uli-f commented 1 year ago

PR #14 has been around for quite a while now.

Any updates when M1 builds (or builds for any other platform) are ready for d/l from github?

Thanks.

janholstjensen commented 1 year ago

We can build binaries, but we are currently working on getting binaries signed so they can run on other machines than the one that built the binaries.

The PR testing has been delayed by the configuration of our build server.

But - I have found that, at least on the build server, the standard 64-bit Linux makefile "Makefile-64bit" will work with gcc once I remove the "-01" switch from the linker flags (the LFLAGS variable). So if you have gcc installed, that could be something to try to get a local build.

uli-f commented 1 year ago

Thank you for the update @janholstjensen, much appreciated.

janholstjensen commented 1 year ago

An update: The coming 1.1 release of RInChI will contain generated makefiles that work on Mac with gcc. If you want, you can already now check out the branch "6-use-latest-inchi-release". It has Mac makefiles and is very very close to what the 1.1 release will be.

uli-f commented 1 year ago

Thanks for the update 😃 I'll have a look.

uli-f commented 1 year ago

I would expect InChI 1.06 to yield different results for certain structures (polymers, molecules with chemical element numbers 113-118). Do you have any plans to increase the RInChI version number from its current 1.00 with the upcoming release?

janholstjensen commented 1 year ago

Good question. InChI 1.06 does not change its version number in the produced InChI strings compared with 1.04, even though some structure InChI strings will change as you describe. Since the InChI string version does not change, and RInChI is based on InChI, I believe that we should keep the RInChI string version number as-is. But it is worth discussing. I will bring it up on our next RInChI meeting.