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rdkit / conda-rdkit

Conda build recipe for the rdkit
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- enable conda-rdkit builds on all platforms #51

Closed ptosco closed 7 years ago

ptosco commented 7 years ago

Enables rdkit, rdkit-postgresql95 and rdkit-postgresql conda builds on all platforms. I have tested it on the latest Anaconda release and it works on all platforms. Please note that this PR requires https://github.com/rdkit/rdkit/pull/1455, https://github.com/rdkit/rdkit/pull/1456 and https://github.com/rdkit/rdkit/pull/1457. Also note git points to https://github.com/ptosco/rdkit, but it should be reverted to https://github.com/ptosco/rdkit once the pull requests are merged in. The same applies to RDkit revisions.

greglandrum commented 7 years ago

Hmmm, I must be doing something stupid (always likely under Windows) because I can't get anything sensible to happen when I do conda build rdkit-postgresql95. It looks like there's no bld.bat there. Did you forget to upload those?

ptosco commented 7 years ago

Oops, sorry Greg, you are not doing anything stupid. It looks like when I split my local development branch into multiple branches to keep PRs separate I left out those files. I have just added them.

greglandrum commented 7 years ago

Thanks. I'm now able to build rdkit-postgresql95 on my windows laptop. I can't do rdkit-postgresql since the postgresql builds themselves don't work (missing gettext dependency), but I don't see that as critical.

ptosco commented 7 years ago

Hi Greg, I have just submitted a new PR with the Windows PostgreSQL dependencies. You should now be able to also build rdkit-postgresql; please shout if this is not the case.

On Fri, Jun 30, 2017 at 4:21 AM, Greg Landrum notifications@github.com wrote:

Merged #51 https://github.com/rdkit/conda-rdkit/pull/51.

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