Error installing molsets due to dependency pomegranate==0.12.0

[dbhaskar92]

pip install molsets on Ubuntu 20.04.4 LTS with Python 3.8.13 and GCC 7.5.0 fails due to an error in installing a dependency.

Building wheel for pomegranate (setup.py) resulted in the following error:

building 'pomegranate.distributions.NeuralNetworkWrapper' extension

  gcc -pthread -B /home/dhanajayb/anaconda3/envs/DeepChem/compiler_compat -Wl,--sysroot=/ -Wsign-compare 
  -DNDEBUG -g -fwrapv -O3 -Wall -Wstrict-prototypes -fPIC 
  -I/home/dhanajayb/anaconda3/envs/DeepChem/include/python3.8 
  -I/home/dhanajayb/anaconda3/envs/DeepChem/lib/python3.8/site-packages/numpy/core/include 
  -c pomegranate/distributions/NeuralNetworkWrapper.c 
  -o build/temp.linux-x86_643.8/pomegranate/distributions/NeuralNetworkWrapper.o
  
  gcc: error: pomegranate/distributions/NeuralNetworkWrapper.c: No such file or directory
  error: command '/usr/bin/gcc' failed with exit code 1
  ----------------------------------------
  ERROR: Failed building wheel for pomegranate

pip install pomegranate successfully installs pomegranate-0.14.8 on this machine. Has anyone else experienced this issue?

[anmorgunov]

If anyone else stumbles upon this issue, it helps to:

1. Clone the repository to the desired location
2. Remove the version constraint for pomegranate in setup.py (as suggested in this PR)
3. Run python setup.py install

[Adamya113]

Using !pip install molsets==0.1.0 will solve the issue, as only the initial release has been removed of the pomegranate version constraint.