AttributeError: module 'libra_py' has no attribute 'Gaussian_methods' #203
Description
Hi,
I have successfully compiled libra-code (v5.5.0) with anaconda in following steps:
conda remove --name libra --all
conda create -n libra python=3.7
conda activate libra
conda install -y -c conda-forge numpy scipy matplotlib imageio jupyter_core
conda install -y ipykernel
conda install -y -c rmg py3dmol
#Next, all what we actually need:
conda install -y conda-build make
conda install -y -c conda-forge gcc_linux-64=12.2.0 gxx_linux-64=12.2.0 cmake=3.24.2 boost=1.80.0 python-devtools llvm-openmp
conda install -y -c conda-forge/label/gcc7 eigen mpfr
conda install -y -c psi4/label/dev libint2=2.7.1
conda install -y -c anaconda h5py gmp
cd ~/app/
git clone https://github.com/Quantum-Dynamics-Hub/libra-code.git libra
cd libra
git checkout devel
mkdir _build && cd _build && cmake ../
make -j4
export PYTHONPATH=/home/mpiusr/app/libra/_build/src:$PYTHONPATH
But, I encountered some issues when I run the test jobs in libra-code, the following errors appear:
(libra) [mpiusr@ws1 test_1_init_system]$ python run_test.py
/home/mpiusr/app/anaconda/3/envs/libra/lib/python3.7/importlib/_bootstrap.py:219: RuntimeWarning: to-Python converter for std::vector<std::vector<int, std::allocator<int> >, std::allocator<std::vector<int, std::allocator<int> > > > already registered; second conversion method ignored.
return f(*args, **kwds)
/home/mpiusr/app/anaconda/3/envs/libra/lib/python3.7/importlib/_bootstrap.py:219: RuntimeWarning: to-Python converter for boost::python::detail::container_element<std::vector<std::vector<int, std::allocator<int> >, std::allocator<std::vector<int, std::allocator<int> > > >, unsigned long, boost::python::detail::final_vector_derived_policies<std::vector<std::vector<int, std::allocator<int> >, std::allocator<std::vector<int, std::allocator<int> > > >, false> > already registered; second conversion method ignored.
return f(*args, **kwds)
/home/mpiusr/app/anaconda/3/envs/libra/lib/python3.7/importlib/_bootstrap.py:219: RuntimeWarning: to-Python converter for std::vector<std::vector<float, std::allocator<float> >, std::allocator<std::vector<float, std::allocator<float> > > > already registered; second conversion method ignored.
return f(*args, **kwds)
/home/mpiusr/app/anaconda/3/envs/libra/lib/python3.7/importlib/_bootstrap.py:219: RuntimeWarning: to-Python converter for boost::python::detail::container_element<std::vector<std::vector<float, std::allocator<float> >, std::allocator<std::vector<float, std::allocator<float> > > >, unsigned long, boost::python::detail::final_vector_derived_policies<std::vector<std::vector<float, std::allocator<float> >, std::allocator<std::vector<float, std::allocator<float> > > >, false> > already registered; second conversion method ignored.
return f(*args, **kwds)
/home/mpiusr/app/anaconda/3/envs/libra/lib/python3.7/importlib/_bootstrap.py:219: RuntimeWarning: to-Python converter for std::vector<std::vector<double, std::allocator<double> >, std::allocator<std::vector<double, std::allocator<double> > > > already registered; second conversion method ignored.
return f(*args, **kwds)
/home/mpiusr/app/anaconda/3/envs/libra/lib/python3.7/importlib/_bootstrap.py:219: RuntimeWarning: to-Python converter for boost::python::detail::container_element<std::vector<std::vector<double, std::allocator<double> >, std::allocator<std::vector<double, std::allocator<double> > > >, unsigned long, boost::python::detail::final_vector_derived_policies<std::vector<std::vector<double, std::allocator<double> >, std::allocator<std::vector<double, std::allocator<double> > > >, false> > already registered; second conversion method ignored.
return f(*args, **kwds)
/home/mpiusr/app/anaconda/3/envs/libra/lib/python3.7/importlib/_bootstrap.py:219: RuntimeWarning: to-Python converter for std::vector<std::vector<std::complex<double>, std::allocator<std::complex<double> > >, std::allocator<std::vector<std::complex<double>, std::allocator<std::complex<double> > > > > already registered; second conversion method ignored.
return f(*args, **kwds)
/home/mpiusr/app/anaconda/3/envs/libra/lib/python3.7/importlib/_bootstrap.py:219: RuntimeWarning: to-Python converter for boost::python::detail::container_element<std::vector<std::vector<std::complex<double>, std::allocator<std::complex<double> > >, std::allocator<std::vector<std::complex<double>, std::allocator<std::complex<double> > > > >, unsigned long, boost::python::detail::final_vector_derived_policies<std::vector<std::vector<std::complex<double>, std::allocator<std::complex<double> > >, std::allocator<std::vector<std::complex<double>, std::allocator<std::complex<double> > > > >, false> > already registered; second conversion method ignored.
return f(*args, **kwds)
Traceback (most recent call last):
File "run_test.py", line 23, in <module>
from libra_py import *
AttributeError: module 'libra_py' has no attribute 'Gaussian_methods'
I would greatly appreciate your assistance in resolving these issues.