numpy>=2.5
pandas>=3.0
openpyxl>=3.1
scipy>=1.18
numba>=0.67
pypdf>=6.16
CoolProp<8.0,>=7.2
rdkit>=2026.3
py2opsin>=1.2
chemicals>=1.5

[dipole-pvdz]
tblite[ase]>=0.7
pyscf>=2.14

[dipole-xtb]
tblite[ase]>=0.7

[render]
CairoSVG>=2.7

[web]
Flask>=3.1
Werkzeug>=3.1
Gunicorn>=26.2
