Prevent installation of cantera from PyPI (#33)

* Prevent installation of cantera from PyPI

* Disable MKL

MKL is disabled as a temporary fix of #29 to resolve #31. It should be
reactivated in a permanent fix.

* Add yaml2ck script

* Update pytest

Starting with Cantera 3.0, the Python test suite is no longer packaged
with the Python module. This commit ensures that conda is still able
to run the tests.

* Replace deprecated SCons option

* Include share/cantera/data in libcantera

.ci_support/cantera_base.conf

@@ -4,3 +4,4 @@ system_sundials = 'n'
 debug = 'n'
 python_package = 'none'
 googletest = 'none'
+layout = 'conda'

cantera-matlab/build.sh

@@ -17,14 +17,14 @@ echo "stage_dir = '${STAGE_DIR}'" >> cantera.conf
 if [[ "${OSX_ARCH}" == "" ]]; then
     echo "optimize_flags = ''" >> cantera.conf
     echo "debug = False" >> cantera.conf
-    echo "VERBOSE = True" >> cantera.conf
+    echo "logging = 'debug'" >> cantera.conf
 else
     echo "cc_flags = '-isysroot ${CONDA_BUILD_SYSROOT}'" >> cantera.conf
     echo "optimize_flags = ''" >> cantera.conf
     echo "debug = False" >> cantera.conf
     echo "no_debug_linker_flags = '-isysroot ${CONDA_BUILD_SYSROOT}'" >> cantera.conf
     echo "use_rpath_linkage = False" >> cantera.conf
-    echo "VERBOSE = True" >> cantera.conf
+    echo "logging = 'debug'" >> cantera.conf
 fi
 
 echo "matlab_toolbox = 'y'" >> cantera.conf

cantera/build.sh

@@ -11,7 +11,8 @@ echo "boost_inc_dir = '${PREFIX}/include'" >> cantera.conf
 if [[ "${OSX_ARCH}" == "" ]]; then
     echo "CC = '${CC}'" >> cantera.conf
     echo "CXX = '${CXX}'" >> cantera.conf
-    echo "blas_lapack_libs = 'mkl_rt,dl'" >> cantera.conf
+    # TODO: reactivate MKL; it is disabled as a temporary fix of #29 to resolve #31
+    # echo "blas_lapack_libs = 'mkl_rt,dl'" >> cantera.conf
     echo "blas_lapack_dir = '${PREFIX}/lib'" >> cantera.conf
     echo "cc_flags = '${CFLAGS}'" >> cantera.conf
     echo "cxx_flags = '${CPPFLAGS}'" >> cantera.conf
@@ -20,7 +21,7 @@ if [[ "${OSX_ARCH}" == "" ]]; then
     echo "use_rpath_linkage = False" >> cantera.conf
     echo "no_debug_linker_flags = '${LDFLAGS}'" >> cantera.conf
     echo "renamed_shared_libraries = False" >> cantera.conf
-    echo "VERBOSE = True" >> cantera.conf
+    echo "logging = 'debug'" >> cantera.conf
 else
     echo "CC = '${CLANG}'" >> cantera.conf
     echo "CXX = '${CLANGXX}'" >> cantera.conf
@@ -31,7 +32,7 @@ else
     echo "optimize_flags = ''" >> cantera.conf
     echo "debug = False" >> cantera.conf
     echo "no_debug_linker_flags = '${LDFLAGS} -isysroot ${CONDA_BUILD_SYSROOT}'" >> cantera.conf
-    echo "VERBOSE = True" >> cantera.conf
+    echo "logging = 'debug'" >> cantera.conf
     echo "renamed_shared_libraries = False" >> cantera.conf
     echo "use_rpath_linkage = False" >> cantera.conf
 fi

cantera/build_lib.bat

@@ -1,7 +1,10 @@
 call %RECIPE_DIR%/build_devel.bat
 echo "****************************"
-echo "DELETING files from devel except shared libraries"
+echo "DELETING files from devel except shared libraries and data"
 echo "****************************"
 
+rd /s /q %PREFIX%\Library\share\cantera\doc
+rd /s /q %PREFIX%\Library\share\cantera\samples
+rd /s /q %PREFIX%\Library\share\man
 rd /s /q %PREFIX%\Library\share
 rd /s /q %PREFIX%\Library\include\cantera

cantera/build_lib.sh

@@ -1,9 +1,11 @@
 source $RECIPE_DIR/build_devel.sh
 echo "****************************"
-echo "DELETING files from devel except shared libraries"
+echo "DELETING files from devel except shared libraries and data"
 echo "****************************"
 
-rm -rf $PREFIX/share
+rm -rf $PREFIX/share/cantera/doc
+rm -rf $PREFIX/share/cantera/samples
+rm -rf $PREFIX/share/man
 rm -rf $PREFIX/include/cantera
 rm -rf $PREFIX/bin
 rm -rf $PREFIX/lib/pkg-config

cantera/build_py.bat

@@ -17,5 +17,5 @@ echo ****************************
 echo PYTHON %PYTHON% BUILD COMPLETED SUCCESSFULLY
 echo ****************************
 
-"%PYTHON%" -m pip install --no-deps --find-links=build\python\dist\ cantera
+"%PYTHON%" -m pip install --no-deps --no-index --find-links=build\python\dist\ cantera
 IF ERRORLEVEL 1 EXIT 1

cantera/build_py.sh

@@ -9,11 +9,12 @@ if [ -d "build/python" ]; then
     rm $PREFIX/bin/ck2yaml || true
     rm $PREFIX/bin/cti2yaml || true
     rm $PREFIX/bin/ctml2yaml || true
+    rm $PREFIX/bin/yaml2ck || true
 fi
 
 ${BUILD_PREFIX}/bin/python `which scons` build python_package='y' python_cmd="${PYTHON}"
 
-$PYTHON -m pip install --no-deps --find-links=build/python/dist cantera
+$PYTHON -m pip install --no-deps --no-index --find-links=build/python/dist cantera
 
 if [[ "$target_platform" == osx-* ]]; then
    VERSION=$(echo $PKG_VERSION | cut -da -f1 | cut -db -f1 | cut -dr -f1)

cantera/meta.yaml

@@ -17,7 +17,7 @@ requirements:
   host:
     - libboost
     - openblas  # [osx]
-    - mkl  # [linux]
+    # - mkl  # [linux] # TODO: reactivate MKL in permanent fix of #29
     - pywin32  # [win]
 
 build:
@@ -43,9 +43,9 @@ outputs:
         - libboost
         - pywin32  # [win]
         - openblas  # [osx]
-        - mkl  # [linux]
+        # - mkl  # [linux] # TODO: reactivate MKL in permanent fix of #29
       run:
-        - mkl  # [linux]
+        # - mkl  # [linux] # TODO: reactivate MKL in permanent fix of #29
         - openblas  # [osx]
     test:
       commands:
@@ -67,7 +67,7 @@ outputs:
       host:
         - libboost
         - openblas  # [osx]
-        - mkl  # [linux]
+        # - mkl  # [linux] # TODO: reactivate MKL in permanent fix of #29
         - pywin32  # [win]
         - libcantera {{ version }}
       run:
@@ -88,7 +88,7 @@ outputs:
         - libboost
         - numpy
         - openblas  # [osx]
-        - mkl  # [linux]
+        # - mkl  # [linux] # TODO: reactivate MKL in permanent fix of #29
         - cython
         - pywin32  # [win]
         # This is added here so conda-build doesn't package it
@@ -102,12 +102,13 @@ outputs:
         - ruamel.yaml
         - {{ pin_subpackage('libcantera', exact=True) }}
         - openblas  # [osx]
-        - mkl  # [linux]
+        # - mkl  # [linux] # TODO: reactivate MKL in permanent fix of #29
     build:
       entry_points:
         - ck2yaml = cantera.ck2yaml:script_entry_point
         - cti2yaml = cantera.cti2yaml:main
         - ctml2yaml = cantera.ctml2yaml:main
+        - yaml2ck = cantera.yaml2ck:main
       include_recipe: True
       ignore_run_exports_from:
         # only the header part of these libraries are used
@@ -118,13 +119,16 @@ outputs:
         - pytest
       imports:
         - cantera
+      source_files:
+        - test/python
+        - test/data
+        - data
       commands:
-        # The version of pytest available from the default channel does not support
-        # Python 3.10
-        - pytest -vv --pyargs cantera.test  # [not py==310]
+        - pytest -vv test/python
         - cti2yaml --help
         - ck2yaml --help
         - ctml2yaml --help
+        - yaml2ck --help
 
 about:
   home: https://cantera.org