Update with how pyscf works now #83

	name: intel-mac

	on: [push]

	jobs:
	build-intel-macos:
	runs-on: macos-11
	defaults:
	run:
	shell: bash -l {0}
	strategy:
	matrix:
	python-version: ["3.10"]



	steps:
	- uses: actions/checkout@v2
	name: Check out repository

	- name: Setup Miniconda
	uses: conda-incubator/[email protected]
	with:
	auto-activate-base: true
	activate-environment: true
	python-version: ${{ matrix.python-version }}

	- name: Install system dependencies
	run: \|
	brew install gcc
	conda install -c conda-forge hdf5
	conda install -c conda-forge eigen

	- name: Build and test OpenCAP
	run: \|
	cd opencap; mkdir build;
	cd build
	CC=gcc-11 CXX=g++-11 cmake -DCODE_COVERAGE=ON -DHDF5_ROOT=$CONDA_PREFIX -DCMAKE_BUILD_TYPE=RelWithDebInfo ..
	make
	ctest --output-on-failure
	cd ../../

	- name: Build and test PyOpenCAP
	run: \|
	export CC=gcc-11
	export CXX=g++-11
	pip install pytest
	pip install pytest-cov
	pip install h5py
	pip install numpy
	pip install pyscf
	pip install codecov
	pip install numgrid
	pip install pandas
	pip install .
	cd pyopencap
	pytest --cov=pyopencap --cov-report=xml
	cd ..

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