🍻 Default formulae for the missing package manager for macOS
356b4af0ff
Cantera is a suite of object-oriented software tools for problems involving chemical kinetics, thermodynamics, and/or transport processes. This formula gets the 1.8.0-beta source from the google code site, http://code.google.com/p/cantera/ and builds it the way I want it: 64-bit architecture with the full python package and numpy. A simple 'brew install cantera' gives me: /usr/local/Cellar/cantera/1.8.0b: 668 files, 30M, built in 5.5 minutes I can then do the following demo (using a homebrew python) which uses the GRI-Mech 3.0 kinetic model to find the equilibrium composition of a stoichiometric mixture of methane and air at 1000 Kelvin and 1 atmosphere: macbookpro:~ rwest$ python Python 2.7 (r27:82500, Aug 16 2010, 14:45:41) [GCC 4.2.1 (Apple Inc. build 5664)] on darwin Type "help", "copyright", "credits" or "license" for more information. >>> import Cantera >>> g=Cantera.GRI30() >>> g.set(X='CH4:1, O2:2, N2:8', T=1000, P=Cantera.OneAtm) >>> g.equilibrate('TP') >>> g gri30: temperature 1000 K pressure 101325 Pa density 0.336957 kg/m^3 mean mol. weight 27.6498 amu 1 kg 1 kmol ----------- ------------ enthalpy -2.03847e+06 -5.636e+07 J internal energy -2.33917e+06 -6.468e+07 J entropy 8643.6 2.39e+05 J/K Gibbs function -1.06821e+07 -2.954e+08 J heat capacity c_p 1311.88 3.627e+04 J/K heat capacity c_v 1011.18 2.796e+04 J/K X Y Chem. Pot. / RT ------------- ------------ ------------ H2 7.61286e-08 5.55034e-09 -33.8964 H 6.26175e-13 2.28264e-14 -16.9482 O 3.28152e-14 1.89883e-14 -21.7574 O2 4.3563e-08 5.04148e-08 -43.5148 OH 3.30789e-09 2.03467e-09 -38.7056 H2O 0.181818 0.118464 -55.6538 HO2 1.22441e-14 1.46163e-14 -60.463 H2O2 1.0757e-13 1.32332e-13 -77.4112 C 2.27652e-44 9.88915e-45 -34.5822 CH 5.81653e-44 2.73871e-44 -51.5304 CH2 8.38153e-40 4.25199e-40 -68.4786 CH2(S) 4.46855e-42 2.26692e-42 -68.4786 CH3 3.45038e-34 1.87617e-34 -85.4268 CH4 2.42853e-30 1.40906e-30 -102.375 CO 2.6519e-08 2.68649e-08 -56.3396 CO2 0.0909091 0.144698 -78.0969 HCO 5.1743e-22 5.4304e-22 -73.2878 CH2O 1.12139e-21 1.21778e-21 -90.2359 CH2OH 3.08627e-32 3.46403e-32 -107.184 CH3O 7.46237e-35 8.37578e-35 -107.184 CH3OH 4.44146e-30 5.14701e-30 -124.132 C2H 2.34749e-55 2.12506e-55 -86.1125 C2H2 1.673e-45 1.57547e-45 -103.061 C2H3 8.12731e-55 7.94977e-55 -120.009 C2H4 6.60022e-50 6.69664e-50 -136.957 C2H5 4.98569e-59 5.24027e-59 -153.905 C2H6 1.36667e-56 1.48628e-56 -170.854 HCCO 1.87989e-42 2.78955e-42 -107.87 CH2CO 4.03465e-38 6.13407e-38 -124.818 HCCOH 6.9093e-45 1.05045e-44 -124.818 N 2.53717e-22 1.28527e-22 -12.5845 NH 5.98875e-22 3.25207e-22 -29.5327 NH2 8.37524e-20 4.85331e-20 -46.4809 NH3 1.04731e-14 6.45078e-15 -63.4291 NNH 2.69259e-19 2.82616e-19 -42.1172 NO 1.37659e-08 1.49391e-08 -34.3419 NO2 3.38433e-13 5.63106e-13 -56.0993 N2O 1.09383e-12 1.74115e-12 -46.9264 HNO 5.09799e-16 5.71828e-16 -51.2901 CN 9.63391e-33 9.06525e-33 -47.1667 HCN 8.91222e-24 8.71104e-24 -64.1149 H2CN 6.76004e-36 6.85387e-36 -81.063 HCNN 1.39332e-43 2.0677e-43 -76.6993 HCNO 8.54635e-33 1.32987e-32 -85.8722 HOCN 2.37596e-23 3.69716e-23 -85.8722 HNCO 7.70146e-18 1.1984e-17 -85.8722 NCO 3.47359e-24 5.27852e-24 -68.924 N2 0.727273 0.736838 -25.169 AR 0 0 C3H7 9.64128e-85 1.50247e-84 -222.384 C3H8 2.79983e-82 4.46523e-82 -239.332 CH2CHO 8.72194e-48 1.35783e-47 -141.766 CH3CHO 3.16573e-45 5.04381e-45 -158.715 >>> Signed-off-by: David Höppner <0xffea@gmail.com> * use snow_leopard_64? * remove version |
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