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Compile Cairo from scratch for all Linux builds #33

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merged 4 commits into from
Mar 9, 2022
Merged

Compile Cairo from scratch for all Linux builds #33

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f81b43d
Compile cairo from source
kuelumbus Mar 9, 2022
94e1bda
Add test for draw import
kuelumbus Mar 9, 2022
c82eb26
Append .1 to RDKit version for PyPi
kuelumbus Mar 9, 2022
75e2bd5
Ooopsi
kuelumbus Mar 9, 2022
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10 changes: 9 additions & 1 deletion pyproject.toml
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Expand Up @@ -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 = [
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2 changes: 1 addition & 1 deletion setup.py
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Expand Up @@ -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]",
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5 changes: 5 additions & 0 deletions tests/test_main.py
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Expand Up @@ -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