Dear support !
On my Ubuntu 24.04.4 LTS I have (mini)conda 26.5.3.
I would like to install psi4. Default conda-forge channel brings wrong libxc.
Would you have some compact conda command to install working psi4 ? Thanks.
conda install -c conda-forge psi4
psi4
Functional 'XC_GGA_XC_TH_FL' not found
Traceback (most recent call last):
File "/home/miroi/miniconda3/envs/mace_env/bin/psi4", line 232, in <module>
import psi4 # isort:skip
^^^^^^^^^^^
File "/home/miroi/miniconda3/envs/mace_env/lib/python3.13/site-packages/psi4/__init__.py", line 93, in <module>
from .driver import endorsed_plugins
File "/home/miroi/miniconda3/envs/mace_env/lib/python3.13/site-packages/psi4/driver/__init__.py", line 34, in <module>
from . import aliases, diatomic, frac, gaussian_n
File "/home/miroi/miniconda3/envs/mace_env/lib/python3.13/site-packages/psi4/driver/diatomic.py", line 41, in <module>
from .p4util.exceptions import *
File "/home/miroi/miniconda3/envs/mace_env/lib/python3.13/site-packages/psi4/driver/p4util/__init__.py", line 35, in <module>
from .fcidump import *
File "/home/miroi/miniconda3/envs/mace_env/lib/python3.13/site-packages/psi4/driver/p4util/fcidump.py", line 44, in <module>
from ..procrouting.proc_util import check_iwl_file_from_scf_type
File "/home/miroi/miniconda3/envs/mace_env/lib/python3.13/site-packages/psi4/driver/procrouting/__init__.py", line 32, in <module>
from .proc_table import energy_only_methods, hooks, integrated_basis_methods, procedures
File "/home/miroi/miniconda3/envs/mace_env/lib/python3.13/site-packages/psi4/driver/procrouting/proc_table.py", line 277, in <module>
ssuper = build_superfunctional_from_dictionary(functionals[key], 1, 1, True)[0]
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/home/miroi/miniconda3/envs/mace_env/lib/python3.13/site-packages/psi4/driver/procrouting/dft/dft_builder.py", line 272, in build_superfunctional_from_dictionary
sup = core.SuperFunctional.XC_build(xc_name, restricted)
RuntimeError:
Fatal Error: Could not find required LibXC functional
Error occurred in file: /home/conda/feedstock_root/build_artifacts/psi4_1770332580347/work/psi4/src/psi4/libfunctional/LibXCfunctional.cc on line: 74
The most recent 5 function calls were:
psi::PsiException::PsiException(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, char const*, int)type or paste code here