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Releases: usgs-coupled/phreeqcrm

Version 3.8.8-17347

12 Sep 19:10

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Version 3.8.8: September 11, 2025
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	August 23, 2025
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	PHREEQC: Sulfate solubilities refit for phreeqc.dat, Amm.dat, and phreeqc_rates.dat.
	
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	August 5, 2025
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	PHREEQC:  Added two options to SIT parameters: -EPSILON1 and -EPSILON2. The
	total epsilon parameter for a pair of ions is calculated as 
	epsilon + epsilon1*I + epsilon2*log10(I), where I is ionic strength.
	
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	July 24, 2025
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	PhreeqcRM:  Isotopes were not included in the list of species generated by FindComponents. 
	Added a calculation necessary to produce the correct list including isotopic species.
	
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	April 22, 2025
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	PhreeqcRM:  Fixed test case AdvectBMI_py.py. The test case was incorrect and
	did not advect calcium through the column. Replaced the concentration pointer
	with explicit calls to get_value("Concentration", c) and set_value("Concentration", c)
	to correct the problem. 
	
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	April 22, 2025
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	PHREEQC:  Fixed MIX to allow negative mixing fractions.

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	March 11, 2025
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	PHREEQC:  Adjustments to Sr+2 and NH4+ viscosity,
	molar volume, and diffusion coefficient parameters 
	in Amm.dat and phreeqc.dat. Tidied databases for 
	readability: 
		Amm.dat,
		database.zip,
		iso.dat,
		llnl.dat,
		minteq.dat,
		minteq.v4.dat,
		phreeqc.dat,
		phreeqc_rates.dat, and
		pitzer.dat,
		sit.dat,
		Tipping_Hurley.dat,
		wateq4f.dat.
		
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	March 10, 2025
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	PHREEQC:  Version at hydrochemistry.eu has additional
	print of viscosity contribution of species.
	
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	March 10, 2025
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	PHREEQC:  Bug_fix for t_sc("") in basicsubs. 

Full Changelog: v3.8.7...v3.8.8

Version 3.8.7-17149

26 Feb 19:35
2f93611

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Version 3.8.7: February 25, 2025
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	February 20, 2025
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	PhreeqcRM: Downgraded compiler standard from C++14 to C++11 for compatibility.

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	February 12, 2025
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	PHREEQC: Added database stimela.dat, a database for use in
	drinking-water and waste-water treatment from Peter de Moel and Omnisys.
	Here is an excerpt of the initial lines of the database.
	
#  stimela.dat (version 3.8.6)						(stimela version of phreeqc.dat)						
#  under development by Peter de Moel (Omnisys) for Stimela platform at Delft University of Technology												
#  based on: phreeqc.dat (file date 2025-01-07, in IPhreeqcCOM-3.8.6-17100-x64.msi)												
#  Stimela is focussed on modelling for water and waste water treatment												
#  Further info on using PHREEQC for water treatment, and PHREEQC in Excel can be found on https://ac4e.omnisys.nl/
												
#  list of modifications: 												
#  - added Amm (with master species AmmH+) as used in amm.dat for redox-uncoupled NH3 (for using Tony Appelo's input files)												
#  - added [N-3] (with master species [N-3]H4+) as alternative for redox-uncoupled Amm (for readable chemical formula)												
#  - added [Fe+2], [Mn+2] and [N+3] (with master species [Fe+2]+2 , [Mn+2]+2 and [N+3]O2-) for redox-uncoupled Fe+2, Mn+2 and NO2-												
#  - added [C-4] and [S-2] (with master species [C-4]H4 and H2[S-2]) as alternatives for redox-uncoupled Mtg and Sg)												
#  - added solid Vaterite (CaCO3) (included in Standard Methods 2330 (2010))												
#  - unchanged analytic for solid Calcite (phreeqc 3.7.0. introduced modified version, deviated from Standard Methods 2330 - 2016)												
#  - modified values for element_gfw according to Abridged Standard Atomic Weights from TSAW 2013 (CIAAW/IUPAC) (https://www.ciaaw.org/abridged-atomic-weights.htm)												
#  end of list of modifications 												

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	February 12, 2025
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	PHREEQC: Fixed bug in GasComp.cxx. The order of the options
	was incorrect, which caused -p (pressure) to be misinterpreted
	when reading GAS_PHASE_RAW.

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	February 11, 2025
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	PhreeqcRM: Increased minimum CMake version to 3.22
	ENVIRONMENT_MODIFICATION requires 3.22

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	February 10, 2025
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	PhreeqcRM: Fixed CMake builds that set PHREEQCRM_STATIC_RUNTIME=ON.
	When PHREEQCRM_STATIC_RUNTIME=ON, the Runtime Library is configured as /MD for Release builds and /MDd for Debug builds

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	February 05, 2025
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	PhreeqcRM: Fixed a Python crash that occurred when BMIPhreeqcRM::LoadDatabase was called before BMIPhreeqcRM::initialize().
	Updated to C++14 for autotools and CMake builds
	BMIPhreeqcRM::LoadDatabase now throws if initialize() hasn't been called

Full Changelog: v3.8.6...v3.8.7

Version 3.8.6-17100-hotfix

11 Feb 20:56
ef14ee6

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Version 3.8.6-17100-hotfix

2025-02-11
Increased minimum CMake version to 3.22

  • ENVIRONMENT_MODIFICATION requires 3.22

2025-02-10
This fixes CMake builds that set PHREEQCRM_STATIC_RUNTIME=ON.

  • When PHREEQCRM_STATIC_RUNTIME=ON, the Runtime Library is configured as /MD for Release builds and /MDd for Debug builds

2025-02-05
This fixes a Python crash that occurred when BMIPhreeqcRM::LoadDatabase was called before BMIPhreeqcRM::initialize().

  • Updated to C++14 for autotools and CMake builds
  • BMIPhreeqcRM::LoadDatabase now throws if initialize() hasn't been called

What's Changed

Full Changelog: v3.8.6...v3.8.6-hotfix

PyPi Release 0.0.14

06 Feb 18:17
adba787

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PyPi Release 0.0.14 Pre-release
Pre-release

Python release based on phreeqcrm 3.8.6 with the following modifications:

  • BMIPhreeqcRM.LoadDatabase(database) raises an exception if BMIPhreeqcRM.initialize() has not been called first. In previous versions, calling LoadDatabase before initialize resulted in a Python interpreter crash.

  • CMake build files were updated to require C++14.

  • The SWIG interface now utilizes the director feature for PhreeqcRM and BMIPhreeqcRM.

  • A prebuilt version for cp312 was added.

Full Changelog: v0.0.13...v0.0.14

PyPi Release 0.0.13

06 Feb 17:56
1e2069d

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PyPi Release 0.0.13 Pre-release
Pre-release

Python release based on phreeqcrm 3.8.6

Full Changelog: v0.0.12...v0.0.13

Version 3.8.6-17100

08 Jan 01:42

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Version 3.8.6: January 7, 2025

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	January 7, 2025
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	PHREEQC: Refactored github actions to test CMake build based on autotools
	distribution.

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	January 4, 2025
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	PHREEQC: Fixed examples to have fewer warnings. Fixed headers of 
	some database files. Changed some output from warnings to comments.

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	January 3, 2025
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	PHREEQC: Fixed version and date string replacements in source distribution.

Full Changelog: v3.8.5...v3.8.6

PyPi Release 0.0.12

20 Dec 22:40
50def48

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PyPi Release 0.0.12 Pre-release
Pre-release

Python release based on phreeqcrm 3.8.5

Full Changelog: v0.0.11...v0.0.12

Version 3.8.5-17052

21 Nov 18:15

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Version 3.8.5: November 20, 2024

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	November 15, 2024
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	PhreeqcRM: Fixed a bug when the diffuse-layer disappeared in a PhreeqcRM calculation
	with a Runge-Kutta integration and the rate went to zero. The error produced charge 
	imbalance because the surface transformed to a no-EDL surface; charge accumulated
	on the surface and was balanced by an opposite charge imbalance in the solution. 

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	November 13, 2024
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	PHREEQCI: Resolved a bug that caused a buffer overflow and led to PHREEQCI
	freezing when loaded under the Simplified Chinese locale.
	
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	November 11, 2024
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	PHREEQC: Added a new keyword data block GAS_BINARY_PARAMETERS that define 
	binary interaction coefficients for pairs of gas components. PHREEQC retains
	some hard-coded interaction parameters, but these can be modified, and new 
	interaction parameters can be added with the new data block. The following 
	data block gives the hard-coded values in PHREEQC:
		GAS_BINARY_PARAMETERS
		H2O(g)  CO2(g)           0.19
		H2O(g)  H2S(g)           0.19
		H2O(g)  H2Sg(g)          0.19
		H2O(g)  CH4(g)           0.49
		H2O(g)  Mtg(g)           0.49
		H2O(g)  Methane(g)       0.49
		H2O(g)  N2(g)            0.49
		H2O(g)  Ntg(g)           0.49
		H2O(g)  Ethane(g)        0.49
		H2O(g)  Propane(g)       0.55

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	November 7, 2024
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	PhreeqcRM: Fixed a bug when multiple PhreeqcRM instances were created in Fortran
	with debug compilation. Some debugging code caused a failure if the instances did
	not have the same number of cells. 
	
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	November 1, 2024
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	Phreeqc: Updated H+ and Br- viscosity in Amm.dat, phreeqc.dat, phreeqc_rates.dat, and pitzer.dat.
	Small change to basicsubs.cpp. 

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	October 24, 2024
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	IPhreeqc: Updated IPhreeqc unit tests.

Full Changelog: v3.8.3...v3.8.5

PyPi Release 0.0.11

20 Dec 22:22

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PyPi Release 0.0.11 Pre-release
Pre-release

Python release based on phreeqcrm 3.8.5

Full Changelog: v0.0.10...v0.0.11

Version 3.8.3-17023

23 Oct 18:30

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Version 3.8.3: October 22, 2024

  	-----------------
	October 8, 2024
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	PHREEQC: Revised the multicomponent diffusion calculation of heat and solutes, 
	accounting now for the heat also for the T-dependent viscosity of the solutions.
	
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	October 8, 2024
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	PHREEQC: Corrected spelling errors throughout PHREEQC as supplied by Mike Toews.
	Modified "lamda" to "lambda" internally as suggested by Toews, but "lamda" and 
	"lambda" are both acceptable in Pitzer database files for backward compatibility.

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	October 8, 2024
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	PHREEQC: Fixed  bug in MIX that produced erroneous temperature and pressure
	if the solutions being mixed did not have 1 kg of water. (Note that PHREEQC does 
	not consider the heat content of the solutions when the temperature of the mixture 
	is calculated.)

Full Changelog: v3.8.2...v3.8.3