Merge pull request #56 from rdkit/explore/boost_161

Numerous updates
rdkit · Nov 7, 2017 · 7e80fec · 7e80fec
2 parents 20dcdfd + b6b944e
commit 7e80fec
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Showing 6 changed files with 32 additions and 22 deletions.
diff --git a/boost/build.sh b/boost/build.sh
@@ -8,7 +8,7 @@
 # - bzip2-devel
 
 echo "PREFIX: " $PREFIX
-export CFLAGS="-m64 -pipe -O2 -march=x86-64 -fPIC -shared"
+export CFLAGS="-m64 -pipe -O2 -march=x86-64 -fPIC -shared";
 export CXXFLAGS="${CFLAGS}"
 
 export BZIP2_INCLUDE="${PREFIX}/include"
@@ -18,7 +18,7 @@ export ZLIB_LIBPATH="${PREFIX}/lib"
 
 ./bootstrap.sh --prefix="${PREFIX}/" --with-libraries=python,regex,thread,system,atomic,chrono,date_time,serialization;
 
-sed -i'.bak' -e's/^using python.*;//' ./project-config.jam
+sed -i'.bak' -e's/using python.*;//' ./project-config.jam
 
 PY_INC=`$PYTHON -c "from distutils import sysconfig; print (sysconfig.get_python_inc(0, '$PREFIX'))"`
 
@@ -37,6 +37,11 @@ if [ "$OSX_ARCH" == "x86_64" ] && ( echo $PY_VER | awk '{exit ($1 > 3.0 ? 0 : 1)
   ln -s libpython${PY_VER}m.dylib libpython${PY_VER}.dylib
   cd $tmpd
 fi
-./b2 -q install \
+
+if [ "$OSX_ARCH" == "x86_64" ]; then
+  export B2_EXTRAS='toolset=clang cxxflags="-stdlib=libc++" linkflags="-stdlib=libc++"'
+fi
+
+./b2 -q install $B2_EXTRAS \
      --with-python --with-regex --with-serialization --with-thread --with-system --with-atomic --with-chrono --with-date_time \
      --debug-configuration include=$PY_INC;
diff --git a/boost/meta.yaml b/boost/meta.yaml
@@ -1,36 +1,36 @@
 
 package:
     name: boost
-    version: 1.61.0 [unix]
+    version: 1.63.0 [unix]
     version: 1.56.0 [win and py27]
-    version: 1.56.0 [win and py34]
     version: 1.59.0 [win and py35]
     version: 1.59.0 [win and py36]
 
 source:
-    fn: boost_1_61_0.tar.bz2 [unix]
-    url: https://sourceforge.net/projects/boost/files/boost/1.61.0/boost_1_61_0.tar.bz2 [unix]
+    fn: boost_1_63_0.tar.bz2 [unix]
+    url: https://sourceforge.net/projects/boost/files/boost/1.63.0/boost_1_63_0.tar.bz2 [unix]
     fn: boost_1_56_0.zip [win and py27]
     url: http://downloads.sourceforge.net/project/boost/boost/1.56.0/boost_1_56_0.zip [win and py27]
-    fn: boost_1_56_0.zip [win and py34]
-    url: http://downloads.sourceforge.net/project/boost/boost/1.56.0/boost_1_56_0.zip [win and py34]
     fn: boost_1_59_0.zip [win and py35]
     url: http://downloads.sourceforge.net/project/boost/boost/1.59.0/boost_1_59_0.zip [win and py35]
     fn: boost_1_59_0.zip [win and py36]
     url: http://downloads.sourceforge.net/project/boost/boost/1.59.0/boost_1_59_0.zip [win and py36]
 
 build:
-    number: 3
+    number: 1
 
 requirements:
     build:
+      - conda ==4.3.25
       - zlib
       - bzip2
       - python
+      - numpy >=1.12
     run:
       - zlib
       - bzip2
       - python
+      - numpy >=1.12
 
 about:
     home: http://www.boost.org/

diff --git a/rdkit-postgresql95/build.sh b/rdkit-postgresql95/build.sh
@@ -2,6 +2,9 @@
 
 cd $SRC_DIR/Code/PgSQL/rdkit
 
+if [ "$OSX_ARCH" == "x86_64" ]; then
+  export CXXFLAGS="-std=c++11 -stdlib=libc++"
+fi
 cmake \
     -D CMAKE_SYSTEM_PREFIX_PATH=$PREFIX \
     -D CMAKE_INSTALL_PREFIX=$PREFIX \

diff --git a/rdkit-postgresql95/meta.yaml b/rdkit-postgresql95/meta.yaml
@@ -4,7 +4,7 @@ package:
 
 source:
   git_url: https://github.com/rdkit/rdkit.git
-  git_rev: Release_2017_03
+  git_rev: Release_2017_09
   patches:
     - cmakelists.txt.patch
     - adapter.cpp.patch
@@ -22,7 +22,7 @@ requirements:
     - m2-diffutils [win]
     - m2-patch [win]
     - postgresql >=9.5
-    - rdkit >=2017.03
+    - rdkit >=2017.09
   run:
     - postgresql >=9.5
 

diff --git a/rdkit/build.sh b/rdkit/build.sh
@@ -2,6 +2,9 @@
 
 PY_INC=`$PYTHON -c "from distutils import sysconfig; print (sysconfig.get_python_inc(0, '$PREFIX'))"`
 
+if [ "$OSX_ARCH" == "x86_64" ]; then
+  export CXXFLAGS="-std=c++11 -stdlib=libc++"
+fi
 cmake \
     -D RDK_INSTALL_INTREE=OFF \
     -D RDK_INSTALL_STATIC_LIBS=OFF \
@@ -21,12 +24,13 @@ cmake \
     -D CMAKE_BUILD_TYPE=Release \
     .
 
-make -j$CPU_COUNT
 
 if [[ `uname` == 'Linux' ]]; then
+    make -j$CPU_COUNT 
     RDBASE=$SRC_DIR LD_LIBRARY_PATH="$PREFIX/lib:$SRC_DIR/lib" PYTHONPATH=$SRC_DIR ctest -j$CPU_COUNT --output-on-failure
     RDBASE=$SRC_DIR LD_LIBRARY_PATH="$PREFIX/lib:$SRC_DIR/lib" PYTHONPATH=$SRC_DIR $PYTHON "$RECIPE_DIR/pkg_version.py"
 else
+    make -j$CPU_COUNT install
     RDBASE=$SRC_DIR DYLD_FALLBACK_LIBRARY_PATH="$PREFIX/lib:$SRC_DIR/lib" PYTHONPATH=$SRC_DIR ctest -j$CPU_COUNT --output-on-failure
     RDBASE=$SRC_DIR DYLD_FALLBACK_LIBRARY_PATH="$PREFIX/lib:$SRC_DIR/lib" PYTHONPATH=$SRC_DIR $PYTHON "$RECIPE_DIR/pkg_version.py"
 fi

diff --git a/rdkit/meta.yaml b/rdkit/meta.yaml
@@ -4,7 +4,7 @@ package:
 
 source:
   git_url: https://github.com/rdkit/rdkit.git
-  git_rev: Release_2017_03
+  git_rev: Release_2017_09
   patches:
     - rdpaths.patch
     - rdconfig.patch [win]
@@ -14,15 +14,15 @@ build:
 
 requirements:
   build:
+    - conda ==4.3.25
     - cmake
     - requests
-    - boost ==1.61.0 [unix]
+    - boost ==1.63.0 [unix]
     - boost ==1.56.0 [win and py27]
-    - boost ==1.56.0 [win and py34]
     - boost ==1.59.0 [win and py35]
     - boost ==1.59.0 [win and py36]
     - python
-    - numpy >=1.11
+    - numpy >=1.12
     - pillow
     - freetype
     - nox [unix]
@@ -32,17 +32,15 @@ requirements:
     - pandas
     - m2-patch [win]
   run:
-    - boost ==1.61.0 [unix]
+    - boost ==1.63.0 [unix]
     - boost ==1.56.0 [win and py27]
-    - boost ==1.56.0 [win and py34]
     - boost ==1.59.0 [win and py35]
     - boost ==1.59.0 [win and py36]
     - cairo [unix]
-    - python
+    - python 
     - pillow
     - pandas
-    - numpy >=1.11
-
+    - numpy >=1.12
 test:
   imports:
     - rdkit