pyciaaw

pyciaaw: CIAAW for python.


Keywords
chemistry, fortran, isotopes, standard-atomic-masses
License
AML
Install
pip install pyciaaw==0.4.0

Documentation

Introduction

ciaaw is a Fortran library providing the standard and abridged atomic weights, the isotopic abundance and the isotopes' standard atomic weights. The formulas are taken from http://ciaaw.org.

To use ciaaw within your fpm <https://github.com/fortran-lang/fpm>_ project, add the following to your fpm.toml file:

    [dependencies]
    iapws = { git="https://github.com/MilanSkocic/ciaaw.git" }

Optional thin wrappers allow usage of the library from other languages, e.g.:

Installation

A Makefile is provided, which uses fpm, for building the library.

  • On windows, msys2 needs to be installed. Add the msys2 binary (usually C:\msys64\usr\bin) to the path in order to be able to use make.
  • On Darwin, the gcc toolchain needs to be installed.

Build: the configuration file will set all the environment variables necessary for the compilation

    chmod +x configure.sh
    . ./configure.sh
    make

Run tests

    make test

Install

    make install

Uninstall

    make uninstall

Dependencies

gcc>=10.0
gfortran>=10.0
fpm>=0.7

License

MIT