Changelog --------- Version 1.7.2 +++++++++++++ * No versions 1.7.0 and 1.7.1 due to upload errors * Move Fortran code to own package `libpitlakq`_, which is now a dependency * Make ``pitlakq`` a no-architecture package * Build ``conda`` and ``pip`` packages * Fix layer ordering (effect only on non-equidistant layer thickeness) * Update deprecated NumPy calls .. libpitlakq: https://gitlab.com/hydrocomputing/libpitlakq Version 1.6.1 +++++++++++++ * Add gfortan DLLs Version 1.6.0 +++++++++++++ * Update to Python 3.9 * Use `Loader` for reading `yaml` to avoid warning * Add parallel PHREEQC calculations with processes on one machine * Varies small typo and other fixes Version 1.5.2 +++++++++++++ * Fix density calculation Version 1.5.1 +++++++++++++ * Remove ``raw_input`` Version 1.5.0 +++++++++++++ * Add linear gridding for bathymetry data Version 1.4.2 +++++++++++++ * Fix missing conversion from list to NumPy array Version 1.4.1 +++++++++++++ * Fix indexing of generator the new version ``openpyxl`` returns instead of a list * Add changelog to documentation Version 1.4.0 +++++++++++++ * Update to Python 3.6 * Use ``m2w64-toolchain`` from the channel ``msys2`` on Windows for C and FORTRAN compiler * First conda package for Linux Version 1.3.2 +++++++++++++ * ``pip`` installation without dependencies Version 1.3.1 +++++++++++++ * Fix indexing in ``phreeqc`` * Add ``w2.pyd`` to Windows release Version 1.3.0 +++++++++++++ * Support Python 3.5 * Release as ``conda`` package * Move output directory ``balance`` under ``output`` * Turn user warnings into exceptions. * Corrected for missing cos2sat values in netCDF file for high pH values * Deep copy only needed data not whole input * Add print out information for exceptions with small or wrong numbers * Add deletion of input data that is already written to W2 readable files * Correct time slots and reverse color map for pH values * Corrected bathymetry preprocessing. Bottom is no always the second grid layer * Allow three successive PHREEQC errors * Add automatic saving of figures * Add more specie names * Use LLNL database as default * Add tutorial for loading * Add script to start Pyro servers for distributed PHREEQC runs * Add script for charge balancing loading input data * Add script to find date and concentration for a given water level * Add script to calculate waterlevel-volume relation from W2 results * Add script to convert balance files, so that relative time in days is used instead of date * Add README * Add W2 names for precipitation concentration * Add some default concentration names to `` pitlakq/templates/precipitation_concentration.txt`` Eventually, there need to be all names here * Add equilibrium species to charge for preprocessing of charge for loadings * Add cut of data below given heights * Add all additional species to TDS. * Remove ``mx.DateTime`` from project and use only ``datetime`` * Add W2 manual for W2 version 2 * Add initialization script to automatically setup PITLAKQ * Replace ``optparse`` with ``argparse`` * Add option to show current project names Version 1.2.0 +++++++++++++ * Include last day of month in groundwater time step * Add print of error information if specie balance produces ``inf`` or ``nan`` * Keep 10 old message files * Ignore all sink/source terms for output per default * Allow user-specified additional species and minerals * Add check for defined constituents and mineral names * Order of constituent flexible by for easier user input * Add pit wall loading * Constants are now input values * Add more species to database * PHREEQC database name is now an input parameter * Keep 10 old copies of the PHREEQC output file for debugging * Add Calcite and Siderite * Enable parallel PHREEQC again * Add PHREEQC executable for Mac OS X * Add documentation for database extension and loading Version 1.1.0 +++++++++++++ * Add help for command line options * Support W2 compilation on Mac OS X * Replace ``pynetcdf`` with ``netCDF4`` * Set default algorithm for ice calculation to detailed * Add preprocessing tool to allow user input of groundwater zones * Added tool to find ice-free and freeze-over dates * Add sub-module ``gwh`` for groundwater inflow based on lake water levels * Add check for consistent names in distribution, flow, and concentrations * Add commandline option to create new project. * Add graphing for lake volume and area as function of water level * Automation of Surfer to calculate volumes and planar areas for given levels * Script to create waterlevel volume and area data and write them into a file * Add ``gwh`` documentation