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update README file

update README file #2

Workflow file for this run

name: 'Publish Conda Package'
on:
push:
tags:
- v[0-9]+.[0-9]+.[0-9]+
env:
ANACONDA_API_TOKEN: ${{ secrets.ANACONDA_TOKEN }}
jobs:
build-and-publish:
runs-on: ${{ matrix.os }}
strategy:
matrix:
os: [ubuntu-latest, macos-latest]
defaults:
run:
shell: bash -l {0}
steps:
- name: Checkout repo
uses: actions/checkout@master
- name: Get version identifier
id: get_version
run: |
echo ::set-output name=VERSION::${GITHUB_REF#refs/tags/v}
echo ${GITHUB_REF#refs/tags/v}
- name: Setup Miniconda
uses: conda-incubator/setup-miniconda@v2
with:
auto-update-conda: true
auto-activate-base: false
activate-environment: anaconda-client-env
environment-file: conda/environment.yml
- name: Build package and publish
run: |
conda config --set anaconda_upload yes
conda build -c conda-forge .
env:
AUTOCOMPCHEM_VERSION: ${{ steps.get_version.outputs.VERSION }}