add macos runner #1583
Workflow file for this run
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# This is a basic workflow to help you get started with Actions | |
name: CI | |
# Controls when the action will run. | |
on: [push, pull_request, workflow_dispatch] | |
# A workflow run is made up of one or more jobs that can run sequentially or in parallel | |
jobs: | |
# This workflow contains a single job called "build" | |
build: | |
runs-on: ${{ matrix.os }} | |
strategy: | |
fail-fast: false | |
matrix: | |
python-version: ["3.10", "3.11", "3.12"] | |
os: [ubuntu-latest, macos-latest] | |
steps: | |
- uses: actions/checkout@v3 | |
- uses: conda-incubator/setup-miniconda@v3 | |
with: | |
miniconda-version: "latest" | |
channels: conda-forge, defaults | |
# use-only-tar-bz2: true # IMPORTANT: This needs to be set for caching to work properly! | |
auto-update-conda: true | |
auto-activate-base: false | |
activate-environment: test | |
- name: Install dependencies and test | |
run: | | |
conda create --name test python=${{ matrix.python-version }} --yes | |
conda activate test || true | |
conda install --yes numpy scipy nose requests | |
conda install --yes pdbfixer mdtraj openmm | |
conda install --yes gfortran cxx-compiler | |
pip install mmtf-python scikit-learn | |
cd prody/proteins/hpbmodule/ | |
gfortran -O3 -fPIC -c reg_tet.f | |
variable=$(python -c 'from distutils.sysconfig import get_python_inc; print(get_python_inc())') | |
c++ -O3 -g -fPIC -c hpbmodule.cpp -o hpbmodule.o -I/$variable | |
c++ -shared -Wl,-soname,hpb.so -o hpb.so hpbmodule.o reg_tet.o -lgfortran | |
cp hpb.so ../ | |
cd - | |
pip install . | |
python setup.py build_ext --inplace --force | |
conda install --yes pytest | |
pytest |