CHNOSZ

2.2.0

Thermodynamic Calculations and Diagrams for Geochemistry

5packages depend

15.2Kdownloads / year

66.5%test coverage

8/13checks pass

Overview

About

Maintained by Jeffrey DickFirst published 2009-04-2335 releasesCRAN page ↗

An integrated set of tools for thermodynamic calculations in aqueous geochemistry and geobiochemistry. Functions are provided for writing balanced reactions to form species from user-selected basis species and for calculating the standard molal properties of species and reactions, including the standard Gibbs energy and equilibrium constant. Calculations of the non-equilibrium chemical affinity and equilibrium chemical activity of species can be portrayed on diagrams as a function of temperature, pressure, or activity of basis species; in two dimensions, this gives a maximum affinity or predominance diagram. The diagrams have formatted chemical formulas and axis labels, and water stability limits can be added to Eh-pH, oxygen fugacity- temperature, and other diagrams with a redox variable. The package has been developed to handle common calculations in aqueous geochemistry, such as solubility due to complexation of metal ions, mineral buffers of redox or pH, and changing the basis species across a diagram ("mosaic diagrams"). CHNOSZ also implements a group additivity algorithm for the standard thermodynamic properties of proteins.

Install

R (CRAN)Ubuntu (r2u)Fedora (COPR)openSUSE (OBS)

install.packages("CHNOSZ", repos = "https://cloud.r-project.org/")

Installs the current CRAN release. Prebuilt binaries on Windows and macOS.

Release

# enable cranapt (r2u) if it is not already set up, then install
grep -rqs r2u.stat.illinois.edu /etc/apt/sources.list /etc/apt/sources.list.d/ \
  || curl -fsSL https://raw.githubusercontent.com/eddelbuettel/r2u/master/inst/scripts/add_cranapt_noble.sh | sudo bash
sudo apt install -y r-cran-chnosz

Fast Ubuntu binaries via r2u (no compilation). The cranapt setup runs once and is skipped when it is already enabled.

bspm (used by r2u) also needs make: sudo apt install make

# enable the iucar/cran COPR if it is not already present, then install
ls /etc/yum.repos.d/*iucar*cran*.repo >/dev/null 2>&1 \
  || sudo dnf copr enable -y iucar/cran
sudo dnf install -y R-CRAN-CHNOSZ

RPMs from the iucar/cran COPR, rebuilt from CRAN.

For install.packages() integration in R, also: sudo dnf install R-CoprManager

# add the autoCRAN OBS repo (Tumbleweed) if it is missing, then install
zypper -q lr | grep -qi autoCRAN \
  || sudo zypper addrepo https://download.opensuse.org/repositories/devel:/languages:/R:/autoCRAN/openSUSE_Tumbleweed/devel:languages:R:autoCRAN.repo
sudo zypper install -y R-CHNOSZ

RPMs auto-built from CRAN on openSUSE OBS (Tumbleweed).

Health

CRAN checks

5NOTE8OK

Failing flavors

NOTE r-devel-linux-x86_64-debian-clang
NOTE r-devel-linux-x86_64-debian-gcc
NOTE r-devel-linux-x86_64-fedora-clang
NOTE r-devel-linux-x86_64-fedora-gcc
NOTE r-devel-windows-x86_64

Slowest check: 10.1 min · r-oldrel-windows-x86_64

Code health

Yes

Tests · ratio 0.03

66.5%

Coverage · measured lines

100%

Documentation · exports

Dependencies · direct

Check history

NOTE2026-07-16
10 OK · 3 NOTE · 0 WARNING · 0 ERROR · 0 FAILURE
OK2026-04-25
12 OK · 0 NOTE · 0 WARNING · 0 ERROR · 0 FAILURE
NOTE2026-03-10
13 OK · 1 NOTE · 0 WARNING · 0 ERROR · 0 FAILURE

Documentation

READMEYes · 38 wordsVignettesYes · dynamicpkgdown siteNoNEWSNoCode of conductNoContributing guideNo

Examples that run: 100%
Documented parameters: 98%
Return-value docs: 50%
References docs: 55%

Downloads

15.2K

CRAN downloads in the past year

Rank #3,434 · ~42/day · ~1.3K/mo

Releases R versions

Daily download trend is not available in this view yet.

1.1K30 days

3.3K90 days

15.2K1 year

Compare downloads with other packages →

Also on554 r2u1.8K conda_forge81 c2d4u

Repository

Repository ↗ projects/chnosz

Repository practices

Upstream repositoryBeta

Repository r-forge.r-project.org/projects/chnosz is linked, but repository-practices checks have not run for it yet. Checks are GitHub-only for now.

How this is detected·Detection ruleset v1 (2026-07-18)

Dependencies

Declared dependencies

5 external dependencies (excludes base and recommended)

Depends (1)

R >= 3.1.0

Imports (4)

grDevicesgraphicsstatsutils

LinkingTo (0)

none

Suggests (5)

tinytest knitr rmarkdown tufte canprot

Enhances (0)

none

Dependency license breakdown →

Reverse dependencies

5direct

1indirect

LipidMS accucor ecipex pubchem.bio canprot

Code & Tests

People & History

People (1)

Maintainer (1)

Jeffrey Dick

Author, Maintainer · added in 1.0.3

Authors (1)

Jeffrey Dick

Author, Maintainer · added in 1.0.3

Listed in earlier versions (2)

Jeffrey M. Dick

no longer listed · 0.8 to 1.0.1

R Core Team

no longer listed · 1.1.3 to 1.3.6

Package Timeline

35 releases. Pick two to compare their code metrics. R releases are shown for context.

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R 4.6.0 released · 2026-04-24
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R 4.5.0 released · 2025-04-11
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R 4.4.0 released · 2024-04-24
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R 4.3.0 released · 2023-04-21
2.0.0
2023-03-13 · diff ↗
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R 4.2.0 released · 2022-04-22
1.4.3
2022-02-22 · diff ↗
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2022-02-08 · diff ↗
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R 4.1.0 released · 2021-05-18
1.4.1
2021-04-09 · diff ↗
1.4.0
2020-11-11 · diff ↗
R
R 4.0.0 released · 2020-04-24
1.3.6
2020-03-16 · diff ↗
1.3.5
2020-02-17 · diff ↗

Show 40 earlier events

1.3.4
2019-12-15 · diff ↗
1.3.3
2019-08-03 · diff ↗
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R 3.6.0 released · 2019-04-26
1.3.2
2019-04-21 · diff ↗
1.3.1
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1.3.0
2019-02-26 · diff ↗
1.2.0
2019-02-10 · diff ↗
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R 3.5.0 released · 2018-04-23
1.1.3
2017-11-13 · diff ↗
1.1.0
2017-05-04 · diff ↗
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R 3.4.0 released · 2017-04-21
1.0.8
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R 3.3.0 released · 2016-05-03
1.0.7
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1.0.6
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1.0.5
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R 3.2.0 released · 2015-04-16
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R 3.1.0 released · 2014-04-10
1.0.3.1
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1.0.1
2013-07-04 · diff ↗
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R 3.0.0 released · 2013-04-03
1.0.0
2013-03-28 · diff ↗
0.9-9
2013-01-01 · diff ↗
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R 2.15.0 released · 2012-03-30
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R 2.14.0 released · 2011-10-31
0.9-7
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0.9-6
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R 2.13.0 released · 2011-04-13
0.9-5
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2011-02-23 · diff ↗
0.9-3
2010-12-22 · diff ↗
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R 2.12.0 released · 2010-10-15
0.9-2
2010-08-26 · diff ↗
0.9-1
2010-07-24 · diff ↗
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R 2.11.0 released · 2010-04-22
0.9
2009-11-30 · diff ↗
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R 2.10.0 released · 2009-10-26
0.8
2009-04-23
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R 2.9.0 released · 2009-04-17

Package metadata

First published: 2009-04-23
Total releases: 35 / 17 yrs
License: GPL-3 OSI
Minimum R: ≥ 3.1.0
Download size: 1.7 MB
Installed size: not tracked yet
With dependencies: not tracked yet

Appears in task views

Chemometrics and Computational Physics

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