Releases: usgs-coupled/phreeqcrm
Releases · usgs-coupled/phreeqcrm
Version 3.8.7-17149
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
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
Python release based on phreeqcrm 3.8.6 with the following modifications:
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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.
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CMake build files were updated to require C++14.
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The SWIG interface now utilizes the director feature for PhreeqcRM and BMIPhreeqcRM.
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A prebuilt version for cp312 was added.
Full Changelog: v0.0.13...v0.0.14
PyPi Release 0.0.13
Python release based on phreeqcrm 3.8.6
Full Changelog: v0.0.12...v0.0.13
Version 3.8.6-17100
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
Python release based on phreeqcrm 3.8.5
Full Changelog: v0.0.11...v0.0.12
Version 3.8.5-17052
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
Python release based on phreeqcrm 3.8.5
Full Changelog: v0.0.10...v0.0.11
Version 3.8.3-17023
Version 3.8.3: October 22, 2024
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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
Version 3.8.2-16969
Version 3.8.2: August 29, 2024
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August 27, 2024
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Added variable "viscos_DDL" in EDL("viscos_DDL", "surface_name") to give the
viscosity of a Donnan layer on a surface in BASIC. Note that the "surface_name"
should not contain an underscore "_", the Donnan properties are for the surface,
not for surface charge, thus use the surface name "Hfo", not "Hfo_w". If
"surface_name" is omitted, the viscosity is given for the first surface in the
alphabetical order.
The viscosity of the Donnan layer on a surface is printed now in the output file.
The viscosity calculation was adapted for high concentrations of neutral species
and gases. Viscosity parameters for CO2 were added using data from McBride et
al., 2015, JCED 60, 171-180. See example c:\phreeqc\viscosity\CO2.phr.
Full Changelog: v3.8.1...v3.8.2