Just in case this would help, I’m adding information about my conda installation. I’m using a version
of Psi4 1.5 to avoid lmax error in optimizations of systems with Zn ions.
Kindly find the full conda list below:
_libgcc_mutex 0.1 main
_openmp_mutex 5.1 1_gnu
ambit 0.5.1 hbe8a562_1 psi4
attrs 22.1.0 py39h06a4308_0
blas 1.0 mkl
bottleneck 1.3.5 py39h7deecbd_0
ca-certificates 2023.01.10 h06a4308_0
certifi 2022.12.7 py39h06a4308_0
chemps2 1.8.10 hbe8a562_0 psi4
dftd3 3.2.1 h84218bc_2 psi4
dkh 1.2 h173d85e_2 psi4
flit-core 3.6.0 pyhd3eb1b0_0
gau2grid 2.0.7 hd18ef5c_0 psi4
gcp 2.0.2 he991be0_2 psi4
gdma 2.2.6 h0e1e685_6 psi4
hdf5 1.10.6 h3ffc7dd_1
importlib-metadata 4.11.3 py39h06a4308_0
importlib_metadata 4.11.3 hd3eb1b0_0
importlib_resources 5.2.0 pyhd3eb1b0_1
intel-openmp 2021.4.0 h06a4308_3561
ld_impl_linux-64 2.38 h1181459_1
libffi 3.4.2 h6a678d5_6
libgcc-ng 11.2.0 h1234567_1
libgfortran-ng 11.2.0 h00389a5_1
libgfortran5 11.2.0 h1234567_1
libgomp 11.2.0 h1234567_1
libint2 2.6.0 hc9558a2_9 psi4
libstdcxx-ng 11.2.0 h1234567_1
libxc 5.2.3 hfebba4c_0 psi4
mkl 2021.4.0 h06a4308_640
mkl-service 2.4.0 py39h7f8727e_0
mkl_fft 1.3.1 py39hd3c417c_0
mkl_random 1.2.2 py39h51133e4_0
more-itertools 8.12.0 pyhd3eb1b0_0
ncurses 6.4 h6a678d5_0
networkx 2.8.4 py39h06a4308_0
numexpr 2.8.4 py39he184ba9_0
numpy 1.23.5 py39h14f4228_0
numpy-base 1.23.5 py39h31eccc5_0
openssl 1.1.1t h7f8727e_0
packaging 22.0 py39h06a4308_0
pandas 1.5.3 py39h417a72b_0
pcmsolver 1.2.1.1 py39h6d17ec8_2 psi4
pint 0.17 pyhd8ed1ab_0 psi4
pip 22.3.1 py39h06a4308_0
pluggy 0.13.1 py39h06a4308_0
psi4 1.5+e9f4d6d py39hbf93d9d_0 psi4
psutil 5.9.0 py39h5eee18b_0
py 1.11.0 pyhd3eb1b0_0
py-cpuinfo 8.0.0 pyhd3eb1b0_1
pydantic 1.10.2 py39h5eee18b_0
pytest 5.4.3 py39h06a4308_0
python 3.9.16 h7a1cb2a_0
python-dateutil 2.8.2 pyhd3eb1b0_0
pytz 2022.7 py39h06a4308_0
pyyaml 6.0 py39h5eee18b_1
qcelemental 0.25.1 pyhd8ed1ab_1 psi4
qcengine 0.26.0 pyhd8ed1ab_0 psi4
readline 8.2 h5eee18b_0
setuptools 65.6.3 py39h06a4308_0
simint 0.7 h642920c_1 psi4
six 1.16.0 pyhd3eb1b0_1
sqlite 3.40.1 h5082296_0
tk 8.6.12 h1ccaba5_0
typing-extensions 4.4.0 py39h06a4308_0
typing_extensions 4.4.0 py39h06a4308_0
tzdata 2022g h04d1e81_0
wcwidth 0.2.5 pyhd3eb1b0_0
wheel 0.38.4 py39h06a4308_0
xz 5.2.10 h5eee18b_1
yaml 0.2.5 h7b6447c_0
zipp 3.11.0 py39h06a4308_0
zlib 1.2.13 h5eee18b_0
I hope this helps!