science/py-chempy 0.9.0_2 DragonFly
Package useful for solving problems in chemistry
- System
- DragonFly
- Repository
- DPorts
- Maintainer
- [email protected] (as in FreeBSD)
- License
- BSD3CLAUSE
- Categories
- python, science
- Package size
- 435.6 KiB, 2774.2 KiB installed
Description
ChemPy is a Python package useful for chemistry (mainly physical/inorganic/analytical chemistry). Currently it includes: * Numerical integration routines for chemical kinetics (ODE solver front-end) * Integrated rate expressions (and convenience fitting routines) * Solver for equilibria (including multiphase systems) * Relations in physical chemistry: * Debye-Huckel expressions * Arrhenius & Eyring equation * Einstein-Smoluchowski equation * Properties (pure python implementations from the literature) * water density as function of temperature * water permittivity as function of temperature and pressure * water diffusivity as function of temperature * water viscosity as function of temperature * sulfuric acid density as function of temperature & weight fraction H2SO4
In the other systems
| System | Port | Version |
|---|---|---|
| DragonFly | science/py-chempy | 0.9.0_2 |
| FreeBSD | science/py-chempy | 0.10.2 |
| HardenedBSD | science/py-chempy | 0.10.1_6 |
| GhostBSD | science/py-chempy | 0.10.1_6 |
Install
Binary package:
pkg install py311-chempy
From DPorts:
cd /usr/dports/science/py-chempy && make install clean
Dependencies
Run dependencies 19
- devel/py-appdirs
- devel/py-ipywidgets
- devel/py-pycodeexport
- devel/py-pycompilation
- devel/py-pyparsing
- lang/python311
- math/py-PuLP
- math/py-matplotlib
- math/py-numpy
- math/py-pygslodeiv2
- math/py-pyneqsys
- math/py-pyodeint
- math/py-pyodesys
- math/py-sym
- math/py-sympy
- print/dot2tex
- science/py-quantities
- science/py-scipy
- www/py-bokeh
No port depends on this one.