Which parts does it depend on? A better way to do the versioning is to use the
“<dependencyManagment>” in maven - no need to modify the ambit props
- John
> On 22 Jul 2022, at 09:26, Uli Fechner <u...@pending.ai> wrote:
>
>
> Thank you for your reply, John.
>
> I bumped the cdk dependency in the POM of ambit by changing the property
> <cdk.version> from 2.1.1 to 2.7.1.
>
> I also had to change two dependency configurations in the POM of
> ambit2-smarts to get it to compile:
> - the scope test of the dependency org.openscience.cdk:cdk-legacy was removed
> (effectively changing the scope from test to the default scope compile)
> - the dependency org.openscience.cdk:cdk-jniinchi-support:${cdk.version} was
> added
>
> It seems like ambit2 quite heavily depends on the cdk-legacy package, so I
> guess this will all break at one point if the ambit2 package isn't updated...
>
> Best
> Uli
>
>> On Tue, Jul 19, 2022 at 11:00 PM John Mayfield <john.wilkinson...@gmail.com>
>> wrote:
>> There "should" not be any breaking change 2.2.1 -> 2.7.1. If there is try
>> including the cdk-legacy module.
>>
>> Best regards
>> John
>>
>>> On Tue, 19 Jul 2022 at 08:14, Uli Fechner <u...@pending.ai> wrote:
>>> Hi,
>>>
>>> I want to apply a SMIRKS pattern to a molecule and get the products as a
>>> result. My understanding is that CDK does not support this at the moment.
>>> Is that correct?
>>>
>>> The ambit-smirks package by IdeaConsult seems to offer the functionality I
>>> am looking for. However, it declares a dependency on cdk 2.2.1 in its
>>> latest pom
>>> (https://github.com/ideaconsult/ambit-mirror/blob/master/ambit2-all/pom.xml).
>>> We use cdk 2.71 and I don't want to downgrade. Does anyone have any
>>> experience with bumping the cdk version in ambit and compiling it yourself?
>>>
>>> Any help is much appreciated.
>>>
>>> Best
>>> Uli
>>> _______________________________________________
>>> Cdk-user mailing list
>>> Cdk-user@lists.sourceforge.net
>>> https://lists.sourceforge.net/lists/listinfo/cdk-user
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