Compile Cairo from scratch for all Linux builds (#33)

* Compile cairo from source

* Add a test

* Append .1 to RDKit version for PyPi

* Ooopsi

pyproject.toml

@@ -31,7 +31,15 @@ test-command = "pytest --exitfirst --verbose --failed-first {package}/tests"
 before-all = [
     # Has eigen3-devel.aarch64
     "yum install -y epel-release",
-    "yum install -y wget freetype-devel zlib-devel libpng12-devel pixman-devel eigen3-devel cairo-devel",
+    "yum install -y wget freetype-devel libpng12-devel pixman-devel zlib-devel eigen3-devel",
+    # cairo-devel from the centos repo does not work, build here
+    "wget https://www.cairographics.org/snapshots/cairo-1.15.14.tar.xz --no-check-certificate",
+    "tar xvf cairo-*",
+    "cd cairo-*",
+    "./configure",
+    "make -j 20",
+    "make install",
+    "cd ..",
 ]
 
 repair-wheel-command = [

setup.py

@@ -255,7 +255,7 @@ def to_win_path(pt: Path):
 
 setup(
     name="rdkit-pypi",
-    version=rdkit_tag.replace("Release_", "").replace("_", "."),
+    version=rdkit_tag.replace("Release_", "").replace("_", ".") + ".1",
     description="A collection of chemoinformatics and machine-learning software written in C++ and Python",
     author="Christopher Kuenneth",
     author_email="[email protected]",

tests/test_main.py

@@ -27,3 +27,8 @@ def test_data_dir_and_chemical_features():
     m = Chem.MolFromSmiles("OCc1ccccc1CN")
     feats = factory.GetFeaturesForMol(m)
     assert len(feats) == 8
+
+
+def test_rdkit_chem_draw_import():
+    # This segfaults if the compiled cairo version from centos is used
+    from rdkit.Chem.Draw import ReactionToImage