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Author SHA1 Message Date
Ray Speth
f19bd3f77d [Thermo] Use current partial molar volumes in BinarySolutionTabulatedThermo 
Previously, calculations of partial molar enthalpies, entropies, and chemical
potentials were using the pure-species molar volumes rather than the ones
calculated by inverting the tabulated mixture molar volume.
 2023-03-03 23:14:15 -05:00
Ray Speth
8658c1bcdf [Thermo] Add missing pressure term to IdealSolidSolnPhase::gibbs_mole 2023-03-03 23:14:15 -05:00
Ray Speth
597d6e907d Fix interpolation of partial molar volumes in BinarySolutionTabulateThermo 
Calculate partial molar volumes based on linearly interpolated dV/dXtab
rather than linearly interpolating the partial molar volumes themselves,
which does not satisfy the identity Vm == sum(vm[k]*X[k]).
 2023-03-03 23:14:15 -05:00
Ray Speth
4a49ed891e Fix serialization of BinarySolutionTabulatedThermo 
Tabulated molar volumes were not being included in YAML output
 2023-03-03 23:14:15 -05:00
Ray Speth
c54e429472 Add callbacks for synchronizing with C++ Solution members 
Objects that need to hold pointers to the members of a C++ Solution,
like the Python Solution object or StFlow, can register a callback
with the Solution that will be called if any of the thermo/kinetics/transport
objects change.

Fixes #1409
 2023-02-27 19:49:38 -06:00
Ray Speth
6392724bd0 Fix setuptools warning about package data 
Setuptools started giving the warning:

"Installing 'cantera.test' as data is deprecated, please list it in
`packages`."

for the data, test, and examples directories.
 2023-02-24 19:32:34 -05:00
Ray Speth
98eb6dadd7 [SCons] Avoid compiler warnings from non-Cantera headers 2023-02-24 19:32:34 -05:00
Ray Speth
e39d1e85be Fix warning from implicit type conversion in format string 2023-02-24 19:32:34 -05:00
Ray Speth
26fcb399e3 Fix warnings about sprintf from Apple Clang 
Starting in macOS 13.2, the use of sprintf started generating
deprecation warnings, even though it's not deprecated by the C++ standard.
 2023-02-24 19:32:34 -05:00
Ray Speth
5810a2abe4 Fix some compiler warnings 2023-02-24 19:32:34 -05:00
Ray Speth
bf7d079f8a [CI] Run with _GLIBCXX_ASSERTIONS enabled 2023-02-24 19:32:34 -05:00
Ray Speth
e494c0a926 Fix issues identified by _GLIBCXX_ASSERTIONS macro 
Resolves #1430
 2023-02-24 19:32:34 -05:00
Gandhali Kogekar
924bdf3ff3 Removing another redundant line 2023-02-17 15:05:49 -06:00
Gandhali Kogekar
4958ba9220 Cleaning up the redundant line inside the for loop 2023-02-17 15:05:49 -06:00
Ingmar Schoegl
3d434130bd Bump version to 3.0.0a4 2023-02-16 13:31:06 -05:00
Ingmar Schoegl
7cf69d2933 Update Copyright information 2023-02-16 13:31:06 -05:00
Ingmar Schoegl
97d4755e25 Fix author order 2023-02-16 13:31:06 -05:00
Ingmar Schoegl
1c9c63c353 [SCons] Check for pytest when running scons test 
Addendum to #1434; update ensures that checks are run for all tests of
the test suite that involve pytest.
 2023-02-16 13:31:06 -05:00
Ingmar Schoegl
ba76a7be0a [dotnet] Replace 'RP' by 'DP' 2023-02-10 19:27:26 -06:00
Ingmar Schoegl
474dc293e5 [matlab] Redirect RP setter to thermo_set_DP 2023-02-10 19:27:26 -06:00
Ingmar Schoegl
b20cfec0fc [clib] Add set_thermo_TD/DP 2023-02-10 19:27:26 -06:00
Ingmar Schoegl
84153559b7 [Thermo] Rename setState_RP to setState_DP 
Also deprecate full state setters.
 2023-02-10 19:27:26 -06:00
Ingmar Schoegl
8a81299ff5 [Thermo] Deprecate setState_TRX/Y 2023-02-10 19:27:26 -06:00
Ingmar Schoegl
3113f2554d [Thermo] Rename setState_TR to setState_TD 2023-02-10 19:27:26 -06:00
Sergey Torokhov
0ce1a1b516 [Scons] Remove "install" target from "check_for_pytest" 
The `check_for_pytest` depends on `check_for_ruamel_yaml`
the pytest package is required on `install` phase and it results in
the Cantera installation fail if pytest absent
even if tests were not required.

This patch swap `check_for_pytest` and `check_for_ruamel_yaml`
dependency order.

The explicit `test-python-convert`, `test-python` targets are dropped
from `check_for_ruamel_yaml` because the `check_for_pytest`
includes `target.startswith("test-python")`.

Signed-off-by: Sergey Torokhov <torokhov-s-a@yandex.ru>
 2023-02-10 18:50:19 -06:00
Ray Speth
808023c0fa [SCons] Trim set of symbols exported in cantera_shared.dll 2023-02-02 18:33:16 -06:00
Ray Speth
b66a249581 Handle multiple versions of Python extensions 2023-02-02 18:33:16 -06:00
Ray Speth
1c5595e16c [SCons] Consolidate addition of build/lib to search path 2023-02-02 18:33:16 -06:00
Ray Speth
360e85b163 Check for match between shared lib and Python module 
When the Python module is linked to the Cantera shared library,
it is possible that a user has multiple incompatible versions of
the library installed. This checks that the Cantera version and
Git commit are the same when importing the Python module, to avoid
crashes or erroneous behavior due to ABI mismatches.
 2023-02-02 18:33:16 -06:00
Ray Speth
57a95782d6 Add function to distinguish shared vs static linking at runtime 
This is important because extensions can only be loaded correctly when
Cantera is linked as a shared library.
 2023-02-02 18:33:16 -06:00
Ray Speth
36ccb1b3e1 Fix export of registration function when using MinGW 2023-02-02 18:33:16 -06:00
Ray Speth
6910c8d839 [CI] Show timing info for brew install commands 
Trying this to understand why this step can sometimes take
upwards of 8 minutes.
 2023-02-02 18:33:16 -06:00
Ray Speth
7a891d0685 [CI] Use newer Python/Windows for MinGW builds 2023-02-02 18:33:16 -06:00
Ray Speth
caa99f88de [CI] Upload MinGW libraries and gtest binaries for debugging 2023-02-02 18:33:16 -06:00
Ray Speth
5729492c2c [CI] Disable mucking around with MinGW libraries 2023-02-02 18:33:16 -06:00
Ray Speth
ca527b48c4 [CI] Upload wheel from MinGW to enable debugging 2023-02-02 18:33:16 -06:00
Ray Speth
922759965c [SCons] Link to shared standard libraries with MinGW 
This requires copying the relevant MinGW runtime libraries into the
Python module.
 2023-02-02 18:33:16 -06:00
Ray Speth
74fd8795c8 [SCons] Restore functionality of buildutils.which 
Broken in 97fc050bde
 2023-02-02 18:33:16 -06:00
Ray Speth
713b7b118f [SCons] Enforce minimum MACOS_DEPLOYMENT_TARGET 
10.15 or newer is required for C++17 support
 2023-02-02 18:33:16 -06:00
Ray Speth
7f93a6292d Bump vendored Eigen to version 3.4.0 2023-02-02 18:33:16 -06:00
Ray Speth
081f434cf6 [SCons] Link tests and samples to shared library on Windows 2023-02-02 18:33:16 -06:00
Ray Speth
3c9af75f05 Bump vendored fmt library to version 9.1.0 
This version properly exports all necessary DLL symbols, eliminating the
need to embed it separately in the Cython module.
 2023-02-02 18:33:16 -06:00
Ray Speth
ae9687ad36 Handle case where extension manager comes from existing Python module 2023-02-02 18:33:16 -06:00
Ray Speth
8114f2f828 [SCons] Link Python module to Cantera shared library 2023-02-02 18:33:16 -06:00
Ray Speth
5ae4847239 Introduce cantera_python shim and load only when needed 
This eliminates the need to directly link the Cantera shared library
or Cantera applications to libpython.
 2023-02-02 18:33:16 -06:00
Ray Speth
29c7094b80 [SCons] Compile using C++17 standard 
This is a prerequisite to using Boost.DLL with the std::filesystem library.
 2023-02-02 18:33:16 -06:00
Ray Speth
e428489656 Eliminate obsolete CANTERA_USE_INTERNAL 2023-02-02 18:33:16 -06:00
Ray Speth
076dff7462 [SCons] Automatically export symbols for DLL 2023-02-02 18:33:16 -06:00
Ray Speth
626ab1e554 Add "using" directives for common types 2023-02-02 18:33:16 -06:00
Ray Speth
cc0377deec Fix compilation failures with PCH and Eigen 
Compilation of polyfit.cpp was failing with GCC on some systems with the
error: "second argument to '__builtin_prefetch' must be a constant"
 2023-02-02 18:33:16 -06:00