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Rule, fix makeInverse when no external IDs #47

Rule, fix makeInverse when no external IDs

Rule, fix makeInverse when no external IDs #47

Workflow file for this run

name: Main
on: [push, pull_request]
jobs:
Ubuntu:
runs-on: ubuntu-22.04
steps:
- name: Checkout
uses: actions/checkout@v3
with:
fetch-depth: 0
submodules: 'recursive'
- name: Set PATH
run: echo "${HOME}/.local/bin" >> $GITHUB_PATH
- name: Update apt
run: sudo apt update
- name: Install pip dependencies
run: |
sudo apt install python3-setuptools python3-wheel
pip3 install -r requirements.txt
- name: Install apt dependencies
run: sudo apt install -y $(bindep -b testing | tr '\n' ' ')
- name: Install Boost
run: |
wget https://boostorg.jfrog.io/artifactory/main/release/1.80.0/source/boost_1_80_0.tar.gz
tar -xf boost_1_80_0.tar.gz
cd boost_1_80_0
./bootstrap.sh --with-python=python3 --prefix=/opt/boost
./b2 -j 2 --with-python --with-graph --with-iostreams --with-test install
- name: Install Graphviz
run: |
sudo apt install librsvg2-dev libpango1.0-dev libperl-dev
wget http://graphviz.gitlab.io/pub/graphviz/stable/SOURCES/graphviz.tar.gz
tar -xf graphviz.tar.gz --one-top-level=graphviz --strip-components=1
cd graphviz
./configure
make -j 2
sudo make install
- name: Bootstrap
run: ./bootstrap.sh
- name: Configure
env:
CXXFLAGS: -Werror
run: |
mkdir build
cd build
cmake ../ -DBUILD_DOC=on -DBUILD_TESTING=on -DBOOST_ROOT=/opt/boost
- name: Build
run: cd build && make -j 2
- name: Install
run: cd build && sudo make install
- name: Build tests
run: cd build && make tests -j 2
- name: Run tests
run: cd build && ctest --output-on-failure -j 2
- name: Run simple test
run: mod -e "smiles('O').print()"
macOS-12:
runs-on: macos-12
steps:
- name: Checkout
uses: actions/checkout@v3
with:
fetch-depth: 0
submodules: 'recursive'
- name: Install Brew dependencies
run: brew bundle
- name: Install pip dependencies
run: pip3 install -r requirements.txt
- name: Set PATH
run: |
/usr/libexec/path_helper | sed -e 's/^PATH="//' -e 's/"; export PATH;//' | tr ":" "\n" | tail -r >> $GITHUB_PATH
python3 -c 'import os,sysconfig;print(sysconfig.get_path("scripts",f"{os.name}_prefix"))' >> $GITHUB_PATH
- name: Bootstrap
run: ./bootstrap.sh
- name: Configure
run: |
mkdir build
cd build
cmake ../ -DBUILD_DOC=on -DBUILD_TESTING=on
- name: Build
run: cd build && make -j 3
- name: Install
run: cd build && sudo make install
- name: Build tests
run: cd build && make tests -j 3
- name: Run tests
run: cd build && ctest --output-on-failure -j 3
- name: Run simple test
run: mod -e "smiles('O').print()"
macOS-13:
runs-on: macos-13
steps:
- name: Checkout
uses: actions/checkout@v3
with:
fetch-depth: 0
submodules: 'recursive'
- name: Install Brew dependencies
run: |
brew bundle
/usr/libexec/path_helper | sed -e 's/^PATH="//' -e 's/"; export PATH;//' | tr ":" "\n" | tail -r >> $GITHUB_PATH
- name: Install pip dependencies
run: pip3 install -r requirements.txt
- name: Bootstrap
run: ./bootstrap.sh
- name: Configure
run: |
mkdir build
cd build
cmake ../ -DBUILD_DOC=on -DBUILD_TESTING=on
- name: Build
run: cd build && make -j 4
- name: Install
run: cd build && sudo make install
- name: Build tests
run: cd build && make tests -j 4
- name: Run tests
run: cd build && ctest --output-on-failure -j 4
- name: Run simple test
run: mod -e "smiles('O').print()"
macOS-14:
runs-on: macos-14
steps:
- name: Checkout
uses: actions/checkout@v3
with:
fetch-depth: 0
submodules: 'recursive'
- name: Install Brew dependencies
run: |
brew bundle
/usr/libexec/path_helper | sed -e 's/^PATH="//' -e 's/"; export PATH;//' | tr ":" "\n" | tail -r >> $GITHUB_PATH
- name: Install pip dependencies
run: pip3 install -r requirements.txt
- name: Bootstrap
run: ./bootstrap.sh
- name: Configure
run: |
mkdir build
cd build
cmake ../ -DBUILD_DOC=on -DBUILD_TESTING=on
- name: Build
run: cd build && make -j 3
- name: Install
run: cd build && sudo make install
- name: Build tests
run: cd build && make tests -j 3
- name: Run tests
run: cd build && ctest --output-on-failure -j 3
- name: Run simple test
run: mod -e "smiles('O').print()"