Added xmgrace output for pdos calculation similar to dos calculations #98

	# This is a basic workflow to help you get started with Actions

	name: CI

	# Controls when the workflow will run
	on:
	# Triggers the workflow on push or pull request events but only for the develop branch
	push:
	branches: [ develop ]
	pull_request:
	branches: [ develop ]

	# Allows you to run this workflow manually from the Actions tab
	workflow_dispatch:

	# A workflow run is made up of one or more jobs that can run sequentially or in parallel
	jobs:
	pre-commit:
	runs-on: ubuntu-latest
	steps:
	- uses: actions/checkout@v2
	- uses: actions/setup-python@v2
	- uses: pre-commit/[email protected]


	build:
	# The type of runner that the job will run on
	runs-on: ubuntu-latest

	# Steps represent a sequence of tasks that will be executed as part of the job
	steps:
	# Checks-out your repository under $GITHUB_WORKSPACE, so your job can access it
	- uses: actions/checkout@v2
	- name: setup python
	uses: actions/setup-python@v2
	with:
	python-version: 3.7
	- name: install dependencies
	run: \|
	sudo apt-get update
	sudo apt-get install \
	gfortran \
	libblas-dev \
	liblapack-dev \
	openmpi-bin \
	libopenmpi-dev
	pip install --upgrade pip
	pip install \
	numpy \
	matplotlib \
	- name: build
	run: \|
	cd optados
	make
	make tools
	- name: run tests
	run: \|
	cd optados/test-suite
	./run_tests -v --category=default

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