conda-rdkit
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rdkit
Conda build recipe for the rdkit
clean install of conda python 3.7 rdkit rdkit for postgres on ubuntu 18.04 has boost version issues
# demonstration of issue psql --port=15432 my-rdkit-db psql (11.2) Type "help" for help. my-rdkit-db=# create extension rdkit; ERROR: could not load library "/home/username/anaconda3/envs/my-rdkit/lib/rdkit.so": libboost_regex.so.1.65.1: cannot open shared object file: No...
What: Fresh install on Ubuntu 20.04 with miniconda3, python 3.7 RDKit installs ok but Python3-saml has become incompatible. First noted with 2020.09.04 but after experiments found first version where break...
doing the following install as of today on an ubuntu 18.04.2 LTS bash /tmp/Anaconda3-2019.03-Linux-x86_64.sh conda create -c rdkit -n my-rdkit rdkit conda activate my-rdkit conda install -c rdkit rdkit-postgresql mkdir...
Hi, I have troubles working with the newest version of RDKit together with not-the-newest version of numpy. It seems like `rdkit` package requires `numpy=1.13`, although it is not stated in...
https://github.com/rdkit/conda-rdkit/blob/92017d1ddfd5651410a9f162aa6254992ba51262/rdkit/meta.yaml#L37 This pulls the wrong rdkit version at runtime if a new one exists.
Boost version numbers end up in the library names, so using DLLs from newer boost versions does not work. This is connected to this rdkit issue. https://github.com/rdkit/rdkit/issues/1957
I follow the instructions in https://github.com/rdkit/conda-rdkit/ But it constantly pumped out the error with !!! TEST FAILURE: python PandasTools.py {} !!! TEST FAILURE: python UnitTestPandasTools.py {} 98% tests passed, 2...
Trying to build RDKit and have got down to one failed test from six (improvement from adding pandas
Trying to `conda install -c rdkit rdkit-postgresql` fails on macOS: ``` PackageNotFoundError: Package not found: Conda could not find ' ``` Meanwhile `rdkit` package can be installed fine. Appreciative RDKit...
if the boost package is linking the ICU libraries, the recipe should pick them from anaconda and specify the build/runtime dependency. (ref https://github.com/deepchem/deepchem/pull/857 although I'm not fully clear if rdkit...
