Prevent installation of cantera from PyPI

[ischoegl]

When running pip install in build.sh/.bat, fetching cantera from PyPi needs to be prevented.

Closes #31

Closes #30 (via Cantera/cantera#1358)
Circumvents #29 (MKL is disabled)

Output with manually built package:

>>> import cantera as ct
>>> ct.__version__
'3.0.0a2'

Other fixes:

• Include ck2yaml in package
• Update pytest
• Update deprecated SCons flag
• Temporarily disable MKL, see Library importation bug in GCloud VM  #29
• Add 'official' share/cantera/data to libcantera package

[ischoegl]

Alright. I believe this is ready for a review.

Curiously, mkl is used despite not explicitly including it in the SCons configuration ... this is the output I get after locally building and installing:

conda list --show-channel-urls
# packages in environment at /opt/conda/envs/ct-test:
#
# Name                    Version                   Build  Channel
_libgcc_mutex             0.1                        main    defaults
_openmp_mutex             5.1                       1_gnu    defaults
blas                      1.0                         mkl    defaults
bzip2                     1.0.8                h7b6447c_0    defaults
ca-certificates           2022.07.19           h06a4308_0    defaults
cantera                   3.0.0a2         py310h6cd0baa_0    file:///opt/conda/envs/conda-bld/conda-bld
certifi                   2022.6.15       py310h06a4308_0    defaults
h5py                      3.7.0           py310he06866b_0    defaults
hdf5                      1.10.6               h3ffc7dd_1    defaults
intel-openmp              2021.4.0          h06a4308_3561    defaults
ld_impl_linux-64          2.38                 h1181459_1    defaults
libcantera                3.0.0a2              h3fd9d12_0    file:///opt/conda/envs/conda-bld/conda-bld
libffi                    3.3                  he6710b0_2    defaults
libgcc-ng                 11.2.0               h1234567_1    defaults
libgfortran-ng            11.2.0               h00389a5_1    defaults
libgfortran5              11.2.0               h1234567_1    defaults
libgomp                   11.2.0               h1234567_1    defaults
libstdcxx-ng              11.2.0               h1234567_1    defaults
libuuid                   1.0.3                h7f8727e_2    defaults
mkl                       2021.4.0           h06a4308_640    defaults
mkl-service               2.4.0           py310h7f8727e_0    defaults
mkl_fft                   1.3.1           py310hd6ae3a3_0    defaults
mkl_random                1.2.2           py310h00e6091_0    defaults
ncurses                   6.3                  h5eee18b_3    defaults
numpy                     1.23.1          py310h1794996_0    defaults
numpy-base                1.23.1          py310hcba007f_0    defaults
openssl                   1.1.1q               h7f8727e_0    defaults
pip                       22.1.2          py310h06a4308_0    defaults
python                    3.10.4               h12debd9_0    defaults
readline                  8.1.2                h7f8727e_1    defaults
ruamel.yaml               0.16.10         py310h7f8727e_1    defaults
ruamel.yaml.clib          0.2.6           py310h7f8727e_0    defaults
setuptools                61.2.0          py310h06a4308_0    defaults
six                       1.16.0             pyhd3eb1b0_1    defaults
sqlite                    3.39.2               h5082296_0    defaults
tk                        8.6.12               h1ccaba5_0    defaults
tzdata                    2022a                hda174b7_0    defaults
wheel                     0.37.1             pyhd3eb1b0_0    defaults
xz                        5.2.5                h7f8727e_1    defaults
zlib                      1.2.12               h7f8727e_2    defaults

[bryanwweber]

NumPy pulls in MKL, so that's not totally surprising. I think we'd like to link Cantera to MKL as well, but we can fix that in a separate PR. Thanks for taking this on!

[speth]

Ah, nice job solving the mystery of how this could result in having Cantera 2.6.0 installed. I guess I shouldn't have been surprised that it was a result of pip doing something wrong.

[ischoegl]

@bryanwweber ... let me know if you have anything else to add? Won't merge this myself as this is the first time I'm working on this repo.

[bryanwweber]

Thanks, a couple of tiny things here

[ischoegl]

@bryanwweber ... thanks! Comments should be taken care of.