Update recipe conda forge

.ci_support/conda_build_config.yaml

@@ -1,13 +1,13 @@
 python:
-  - '3.6'
   - '3.7'
   - '3.8'
   - '3.9'
+  - '3.10'
 numpy:
-  - '1.16'
   - '1.16'
   - '1.16'
   - '1.19'
+  - '1.21'
 zip_keys:
 - - python
   - numpy

.github/workflows/main.yml

@@ -12,18 +12,25 @@ on:
     # Build when a pull request targets main
     branches:
       - main
+  workflow_dispatch:
+    inputs:
+      upload:
+        description: Attempt to upload to Anaconda
+        required: true
+        default: "false"
+
 env:
   MW_HEADERS_DIR: ${{ github.workspace }}/../mw_headers
   MACOSX_DEPLOYMENT_TARGET: "10.9"
 
 jobs:
-  build-x64:
-    name: ${{ matrix.os }}-x64 with MATLAB=${{ matrix.MATLAB }}
+  build:
+    name: ${{ matrix.os }} with MATLAB=${{ matrix.MATLAB }}
     runs-on: ${{ matrix.os }}
     strategy:
       matrix:
         MATLAB: [0, 1]
-        os: [windows-2016, ubuntu-latest, macos-latest]
+        os: [windows-2019, ubuntu-latest, macos-latest]
       fail-fast: false
     steps:
     - uses: actions/checkout@v2
@@ -63,12 +70,45 @@ jobs:
       shell: bash -l {0}
       run: conda build ./cantera -m ./.ci_support/conda_build_config.yaml
       if: matrix.MATLAB == 0
-    - name: Get the MATLAB headers
+    # The known_hosts key is generated with `ssh-keygen -F cantera.org` from a
+    # machine that has previously logged in to cantera.org and trusts
+    # that it logged in to the right machine
+    - name: Set up SSH key and host for cloning MATLAB
       if: matrix.MATLAB == 1
-      run: git clone https://cantera:${GIT_PW}@cantera.org/mw_headers.git "${MW_HEADERS_DIR}"
-      env:
-        GIT_PW: ${{ secrets.GIT_PW }}
-      shell: bash -l {0}
+      uses: shimataro/ssh-key-action@v2
+      with:
+        key: ${{ secrets.CTDEPLOY_SSH_KEY }}
+        known_hosts: ${{ secrets.CTDEPLOY_KNOWN_HOSTS }}
+    # If the version of rsync is changed, the directories below have to be updated
+    - name: Install rsync on Windows
+      if: matrix.MATLAB == 1 && runner.os == 'Windows'
+      run: choco install rsync --version 6.2.4
+    # This seems like overkill, but rsync on Windows requires a POSIX-style path
+    - name: Display the path
+      run: |
+        import os
+        from pathlib import Path, PurePosixPath
+        mw_headers_dir = Path(os.environ["MW_HEADERS_DIR"]).resolve()
+        mw_headers_dir = PurePosixPath(
+            "/cygdrive",
+            mw_headers_dir.drive[0],
+            PurePosixPath(*mw_headers_dir.parts[1:])
+        )
+        with Path(os.environ["GITHUB_ENV"]).open(mode="a") as gh_env:
+            gh_env.write(f"CYG_MW_HEADERS_DIR={mw_headers_dir}")
+      shell: python
+      if: runner.os == 'Windows' && matrix.MATLAB == 1
+    - name: Get the MATLAB headers
+      if: matrix.MATLAB == 1 && runner.os == 'Windows'
+      run: |
+        rsync -azvP -e `
+        'C:\ProgramData\chocolatey\lib\rsync\tools\cwrsync_6.2.4_x64_free\bin\ssh.exe -i C:\Users\runneradmin\.ssh\id_rsa -o UserKnownHostsFile=C:\Users\runneradmin\.ssh\known_hosts' `
+        ctdeploy@cantera.org:. $Env:CYG_MW_HEADERS_DIR
+      shell: powershell
+    - name: Get the MATLAB headers
+      if: matrix.MATLAB == 1 && runner.os != 'Windows'
+      run: "rsync -azvP ctdeploy@cantera.org:. ${MW_HEADERS_DIR}"
+      shell: bash
     - name: Build the MATLAB recipe
       shell: bash -l {0}
       run: conda build ./cantera-matlab -m ./.ci_support/conda_build_config.yaml
@@ -77,4 +117,4 @@ jobs:
       run: |
         anaconda --token ${{ secrets.ANACONDA_TOKEN }} upload --force --label dev $CONDA/conda-bld/*/*cantera*.tar.bz2
       shell: bash -l {0}
-      if: github.event_name == 'push' && github.event.ref == 'refs/heads/main'
+      if: github.event.inputs.upload == 'true'

cantera-matlab/bld.bat

@@ -4,20 +4,8 @@ echo ****************************
 echo MATLAB BUILD STARTED
 echo ****************************
 
-REM IF %ARCH% EQU 64 (
-REM     CALL "%VS140COMNTOOLS%"\..\..\VC\bin\amd64\vcvars64.bat
-REM ) ELSE (
-REM     CALL "%VS140COMNTOOLS%"\..\..\VC\bin\vcvars32.bat
-REM )
-
-:: Have to use CALL to prevent the script from exiting after calling SCons
-CALL scons clean
-IF ERRORLEVEL 1 EXIT 1
-
-DEL /F cantera.conf
-
 COPY "%RECIPE_DIR%\..\.ci_support\cantera_base.conf" cantera.conf
-ECHO msvc_version='14.1' >> cantera.conf
+ECHO msvc_version='14.2' >> cantera.conf
 
 SET "STAGE_DIR=stage"
 ECHO stage_dir="%STAGE_DIR%" >> cantera.conf

cantera-matlab/build.sh

@@ -4,12 +4,6 @@ echo "****************************"
 echo "MATLAB BUILD STARTED"
 echo "****************************"
 
-if [[ "$DIRTY" != "1" ]]; then
-    scons clean
-fi
-
-rm -f cantera.conf
-
 cp "${RECIPE_DIR}/../.ci_support/cantera_base.conf" cantera.conf
 
 echo "prefix = ''" >> cantera.conf
@@ -22,19 +16,35 @@ echo "stage_dir = '${STAGE_DIR}'" >> cantera.conf
 if [[ "${OSX_ARCH}" == "" ]]; then
     echo "CC = '${CC}'" >> cantera.conf
     echo "CXX = '${CXX}'" >> cantera.conf
+    echo "cc_flags = '${CFLAGS}'" >> cantera.conf
+    echo "cxx_flags = '${CPPFLAGS}'" >> cantera.conf
+    echo "optimize_flags = ''" >> cantera.conf
+    echo "debug = False" >> cantera.conf
+    echo "use_rpath_linkage = False" >> cantera.conf
+    echo "no_debug_linker_flags = '${LDFLAGS}'" >> cantera.conf
+    echo "renamed_shared_libraries = False" >> cantera.conf
+    echo "VERBOSE = True" >> cantera.conf
 else
     echo "CC = '${CLANG}'" >> cantera.conf
     echo "CXX = '${CLANGXX}'" >> cantera.conf
-    echo "cc_flags = '-isysroot ${CONDA_BUILD_SYSROOT} -mmacosx-version-min=${MACOSX_DEPLOYMENT_TARGET}'" >> cantera.conf
+    echo "cc_flags = '-isysroot ${CONDA_BUILD_SYSROOT} ${CFLAGS}'" >> cantera.conf
+    echo "cxx_flags = '${CPPFLAGS}'" >> cantera.conf
+    echo "optimize_flags = ''" >> cantera.conf
+    echo "debug = False" >> cantera.conf
+    echo "no_debug_linker_flags = '${LDFLAGS} -isysroot ${CONDA_BUILD_SYSROOT}'" >> cantera.conf
+    echo "env_vars = 'LD'" >> cantera.conf
+    echo "VERBOSE = True" >> cantera.conf
+    echo "renamed_shared_libraries = False" >> cantera.conf
+    echo "use_rpath_linkage = False" >> cantera.conf
 fi
 
 echo "matlab_toolbox = 'y'" >> cantera.conf
 echo "matlab_path = '${MW_HEADERS_DIR}'" >> cantera.conf
 
 set -xe
 
-scons build -j${CPU_COUNT}
-scons install
+${BUILD_PREFIX}/bin/python `which scons` build -j${CPU_COUNT}
+${BUILD_PREFIX}/bin/python `which scons` install
 
 # "Install" just the Matlab interface. This method should
 # prevent this package from clobbering any existing

cantera-matlab/meta.yaml

@@ -1,32 +1,30 @@
-{% set data = load_file_regex(load_file='SConstruct', regex_pattern="env\\['cantera_version'\\] = .([\d.abrc]+).") %}
+{% set data = load_file_regex(load_file='SConstruct', regex_pattern="env\\[.cantera_version.\\] = .([\d.abrc]+).") %}
 
 package:
   name: cantera-matlab
   version: {{ data.group(1) }}
 
 source:
   git_url: https://github.com/Cantera/cantera.git
-  git_tag: main
+  git_tag: add-package-workflow
 
 requirements:
   build:
-    - {{ compiler('c') }}  # [not win]
-    - {{ compiler('cxx') }}  # [not win]
-    - vs2017_win-64 ==19.15.*  # [win64]
-    - vs2017_win-32 ==19.15.*  # [win32]
-    - scons >=3.1
-    - python >=3.5
-    - numpy
+    - {{ compiler('c') }}
+    - {{ compiler('cxx') }}
+    - scons >=4.1
   host:
     - libboost
-  run:
-    - vs2015_runtime  # [win]
+    - pywin32  # [win]
 
 build:
   number: 0
   include_recipe: True
   script_env:
     - MW_HEADERS_DIR
+  ignore_run_exports_from:
+    # Only the header version of this library is used
+    - libboost
 
 about:
   home: https://cantera.org

cantera/bld.bat

@@ -4,27 +4,15 @@ echo ****************************
 echo BUILD STARTED
 echo ****************************
 
-REM IF %ARCH% EQU 64 (
-REM    CALL "%VS141COMNTOOLS%"\..\..\VC\bin\amd64\vcvars64.bat
-REM ) ELSE (
-REM    CALL "%VS150COMNTOOLS%"\..\..\VC\bin\vcvars32.bat
-REM )
-
-:: Have to use CALL to prevent the script from exiting after calling SCons
-CALL scons clean
-IF ERRORLEVEL 1 EXIT 1
-
-DEL /F cantera.conf
-
 COPY "%RECIPE_DIR%\..\.ci_support\cantera_base.conf" cantera.conf
-ECHO msvc_version='14.1' >> cantera.conf
+ECHO msvc_version='14.2' >> cantera.conf
 
 :: Set the number of CPUs to use in building
 SET /A CPU_USE=%CPU_COUNT% / 2
 IF %CPU_USE% EQU 0 SET CPU_USE=1
 
 SET "ESC_PREFIX=%PREFIX:\=/%"
-ECHO prefix="%ESC_PREFIX%" >> cantera.conf
+ECHO prefix="%ESC_PREFIX%/Library" >> cantera.conf
 ECHO boost_inc_dir="%ESC_PREFIX%/Library/include" >> cantera.conf
 
 CALL scons build -j%CPU_USE%

cantera/build.sh

@@ -1,14 +1,7 @@
 set +x
-
-echo "****************************"
-echo "LIBRARY BUILD STARTED"
-echo "****************************"
-
-if [[ "$DIRTY" != "1" ]]; then
-    scons clean
-fi
-
-rm -f cantera.conf
+echo "******************"
+echo "MAIN BUILD STARTED"
+echo "******************"
 
 cp "${RECIPE_DIR}/../.ci_support/cantera_base.conf" cantera.conf
 
@@ -20,18 +13,35 @@ if [[ "${OSX_ARCH}" == "" ]]; then
     echo "CXX = '${CXX}'" >> cantera.conf
     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 = '${CPPFLAGS}'" >> cantera.conf
+    echo "optimize_flags = ''" >> cantera.conf
+    echo "debug = False" >> cantera.conf
+    echo "use_rpath_linkage = False" >> cantera.conf
+    echo "no_debug_linker_flags = '${LDFLAGS}'" >> cantera.conf
+    echo "renamed_shared_libraries = False" >> cantera.conf
+    echo "VERBOSE = True" >> cantera.conf
 else
     echo "CC = '${CLANG}'" >> cantera.conf
     echo "CXX = '${CLANGXX}'" >> cantera.conf
-    echo "cc_flags = '-isysroot ${CONDA_BUILD_SYSROOT} -mmacosx-version-min=${MACOSX_DEPLOYMENT_TARGET}'" >> cantera.conf
+    echo "blas_lapack_libs = 'openblas'" >> cantera.conf
+    echo "blas_lapack_dir = '${PREFIX}/lib'" >> cantera.conf
+    echo "cc_flags = '-isysroot ${CONDA_BUILD_SYSROOT} ${CFLAGS}'" >> cantera.conf
+    echo "cxx_flags = '${CPPFLAGS}'" >> cantera.conf
+    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 "renamed_shared_libraries = False" >> cantera.conf
+    echo "use_rpath_linkage = False" >> cantera.conf
 fi
 
 set -xe
 
-scons build -j${CPU_COUNT}
-
+${BUILD_PREFIX}/bin/python `which scons` build -j${CPU_COUNT}
+cp cantera.conf cantera.conf.pre-py
 set +xe
 
-echo "****************************"
-echo "BUILD COMPLETED SUCCESSFULLY"
-echo "****************************"
+echo "********************"
+echo "MAIN BUILD COMPLETED"
+echo "********************"

cantera/build_devel.bat

@@ -2,11 +2,6 @@ ECHO ************************
 ECHO DEVEL BUILD STARTED
 ECHO ************************
 
-DEL /F cantera.conf
-
-COPY "%RECIPE_DIR%\..\.ci_support\cantera_base.conf" cantera.conf
-ECHO msvc_version='14.1' >> cantera.conf
-
 CALL scons install
 
 ECHO ************************

cantera/build_devel.sh

@@ -1,29 +1,12 @@
-echo "****************************"
-echo "DEVEL LIBRARY INSTALL STARTED"
-echo "****************************"
+echo "***************************"
+echo "DEVEL LIBRARY BUILD STARTED"
+echo "***************************"
 
 set -e
-rm -f cantera.conf
 
-cp "${RECIPE_DIR}/../.ci_support/cantera_base.conf" cantera.conf
-
-echo "prefix = '${PREFIX}'" >> cantera.conf
-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
-    echo "blas_lapack_dir = '${PREFIX}/lib'" >> cantera.conf
-else
-    echo "CC = '${CLANG}'" >> cantera.conf
-    echo "CXX = '${CLANGXX}'" >> cantera.conf
-    echo "cc_flags = '-isysroot ${CONDA_BUILD_SYSROOT} -mmacosx-version-min=${MACOSX_DEPLOYMENT_TARGET}'" >> cantera.conf
-fi
-
-scons install
+${BUILD_PREFIX}/bin/python `which scons` install
 set +e
 
-echo "****************************"
-echo "DEVEL LIBRARY INSTALL COMPLETED SUCCESSFULLY"
-echo "****************************"
+echo "*****************************"
+echo "DEVEL LIBRARY BUILD COMPLETED"
+echo "*****************************"

cantera/build_lib.bat

@@ -0,0 +1,7 @@
+call %RECIPE_DIR%/build_devel.bat
+echo "****************************"
+echo "DELETING files from devel except shared libraries"
+echo "****************************"
+
+rd /s /q %PREFIX%\Library\share
+rd /s /q %PREFIX%\Library\include\cantera

cantera/build_lib.sh

@@ -0,0 +1,18 @@
+source $RECIPE_DIR/build_devel.sh
+echo "****************************"
+echo "DELETING files from devel except shared libraries"
+echo "****************************"
+
+rm -rf $PREFIX/share
+rm -rf $PREFIX/include/cantera
+rm -rf $PREFIX/bin
+rm -rf $PREFIX/lib/pkg-config
+rm -rf $PREFIX/lib/libcantera.a
+
+if [[ "$target_platform" == osx-* ]]; then
+  ${OTOOL:-otool} -L $PREFIX/lib/libcantera.dylib
+fi
+
+echo "************************"
+echo "DELETING files COMPLETED"
+echo "************************"

cantera/build_py.bat

@@ -17,6 +17,5 @@ echo ****************************
 echo PYTHON %PYTHON% BUILD COMPLETED SUCCESSFULLY
 echo ****************************
 
-cd interfaces/cython
-"%PYTHON%" setup.py build --build-lib=../../build/python install
+"%PYTHON%" -m pip install --no-deps --find-links=build\python\dist\ cantera
 IF ERRORLEVEL 1 EXIT 1