search

rdkit / homebrew-rdkit

Homebrew formula for rdkit
44 stars 19 forks source link

Installs RDKit/Code into the wrong directory #106

Closed thorlucas closed 3 years ago

thorlucas commented 3 years ago

From RDKit's FindMyRDKit.cmake:

set(RDKIT_DIR $ENV{RDBASE})
if(NOT RDKIT_DIR)
  message( WARNING "Using RDKit at /home/cosgrove/RDKit_2013_09_1" )
  set(RDKIT_DIR "/home/cosgrove/RDKit_2013_09_1")
endif(NOT RDKIT_DIR)

set(RDKIT_INCLUDE_DIR ${RDKIT_DIR}/Code)

In otherwords, RDKit's cmake files look for includes in the $RDBASE/Code directory. Instead, with this we have them in something like /usr/local/Cellar/rdkit/2020.09.1. This is incorrect.

thorlucas commented 3 years ago

I would suggest running ln -s /usr/local/Cellar/rdkit/${THE VERSION VAR} /usr/local/share/RDKit/Code or something

thorlucas commented 3 years ago

Also this directory is missing some files that are expected, such as the directory $RDBASE/Code/cmake, etc.

UnixJunkie commented 3 years ago

I feel this issue is about rdkit, not about the brew installer. Please open an issue in there: https://github.com/rdkit/rdkit/issues