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  1. wget https://repo.anaconda.com/miniconda/Miniconda3-py39_4.12.0-Linux-x86_64.sh .

  2. sh ./Miniconda3-py39_4.12.0-Linux-x86_64.sh -b -u -p /mnt/d/WORK/SOFTWARE/Conda

  3. edit .bashrc and restart Ubuntu

  4. conda update -n base -c defaults conda

  5. conda create -n libra

  6. conda activate libra

  7. Install packages

conda install conda-build=3.22.0

conda install -c conda-forge gcc_linux-64=12.2.0 gxx_linux-64=12.2.0

conda install make=4.2.1

conda install -c conda-forge cmake=3.24.2

conda install git

conda install -c conda-forge boost-cpp=1.80.0

conda install -c psi4 libint2=2.7.1

conda install -c conda-forge eigen=3.4.0

conda install -c conda-forge gmp=6.2.1

conda install -c conda-forge mpfr=4.1.0

conda install -c conda-forge numpy (installs version 1.21.6, I think)

conda install -c conda-forge scipy (installs version 1.7.3)

conda install -c conda-forge matplotlib (installs version 3.5.2)

conda install -c conda-forge jupyter_core (installs version 4.11.1)

conda install -c conda-forge imageio=2.6.1

conda install -c conda-forge llvm-openmp=14.0.4

conda install -c conda-forge h5py=3.7.0

conda install -c conda-forge py3dmol=1.8.1

conda install -c conda-forge python-devtools (for the headers)

python3 -m pip install python-dev-tools --user --upgrade

(one of the above operations downgrades Python to 3.7)

conda install -c conda-forge boost=1.80.0

conda install -c conda-forge ninja=1.11.0