Hi Greg,
I would be using it for myself, and maybe a few other labmates who are
interested.
After reading more about conda build, I have tried editing the meta.yaml
file to point to my fork of rdkit/rdkit with the necessary changes. This
works mostly, except now the build fails the tests. This is the case even
when I use conda-build to build the 2016-09 branch of the main rdkit/rdkit.
Connor, I'll try using your rdkit fork next.
Thank you!
Jennifer
On Tue, Oct 3, 2017 at 7:56 AM Greg Landrum <greg.land...@gmail.com> wrote:
> Hi Jennifer,
>
> On Mon, Oct 2, 2017 at 12:59 AM, Jennifer Wei <jennifer...@fas.harvard.edu
> > wrote:
>
>>
>> I have one more question: I am a bit stuck as to how to rebuild my rdkit.
>> Ideally I would like to create a separate conda environment with the
>> modified rdkit. I have mostly followed the instructions from here:
>> https://github.com/rdkit/conda-rdkit
>> <https://urldefense.proofpoint.com/v2/url?u=https-3A__github.com_rdkit_conda-2Drdkit&d=DwMFaQ&c=WO-RGvefibhHBZq3fL85hQ&r=UPzYrSHLXjnX3tYn90C8Ljjzb-yfrb1UtMOxOFh-tKk&m=Jxt6IBdFyOTxpWpL1loxQmTva2ZDxkrrTQMIu7FeIxE&s=xaXbSzmdXt3uvMO1TchpchjTLzdy712wzpfENOqUuJg&e=>
>>
>> How do I modify the instructions to make a package from my customized
>> rdkit source code? The instructions seem to be for getting the general
>> conda build rather than making your own conda environment from customized
>> source code in rdkit/rdkit.
>>
>
> Are you looking to build a copy just for you to run or do you want to
> distribute it to others?
>
> -greg
>
>
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