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add macos runner

add macos runner #1583

Workflow file for this run

# 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