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Merge pull request #30 from RMeli/develop
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Update conda URL in CI and README Cleanup
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RMeli authored Apr 13, 2020
2 parents 757ef0e + 403f475 commit 96a0901
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12 changes: 4 additions & 8 deletions .github/PULL_REQUEST_TEMPLATE.md
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## Description
Provide a brief description of the PR's purpose here.

## Todos
Notable points that this PR has either accomplished or will accomplish.
- [ ] TODO 1
<!-- Provide a brief description of the PR's purpose here. -->

## Questions
- [ ] Question1
## Checklist

## Status
- [ ] Ready to go
- [ ] Tests
- [ ] Documentation
1 change: 1 addition & 0 deletions .github/workflows/pypi.yml
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Expand Up @@ -3,6 +3,7 @@ name: pypi
on:
release:
types: [created]
branches: [master]

jobs:
deploy:
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19 changes: 6 additions & 13 deletions README.md
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[![Travis Build Status](https://travis-ci.org/RMeli/spyrmsd.svg?branch=develop)](https://travis-ci.org/RMeli/spyrmsd)
[![Build status](https://ci.appveyor.com/api/projects/status/31ubs980idhv1qw8/branch/develop?svg=true)](https://ci.appveyor.com/project/RMeli/spyrmsd/branch/master)
![flake8](https://github.com/RMeli/spyrmsd/workflows/flake8/badge.svg)
![mypy](https://github.com/RMeli/spyrmsd/workflows/mypy/badge.svg)
[![codecov](https://codecov.io/gh/RMeli/spyrmsd/branch/develop/graph/badge.svg)](https://codecov.io/gh/RMeli/spyrmsd/branch/master)
[![Language grade: Python](https://img.shields.io/lgtm/grade/python/g/RMeli/spyrmsd.svg?logo=lgtm&logoWidth=18)](https://lgtm.com/projects/g/RMeli/spyrmsd/context:python)
[![Documentation Status](https://readthedocs.org/projects/spyrmsd/badge/?version=develop)](https://spyrmsd.readthedocs.io/en/develop/?badge=develop)

![flake8](https://github.com/RMeli/spyrmsd/workflows/flake8/badge.svg)
![mypy](https://github.com/RMeli/spyrmsd/workflows/mypy/badge.svg)
[![Docs](https://img.shields.io/badge/docs-spyrmsd.readthedocs.io-blueviolet)](https://spyrmsd.readthedocs.io)
[![Documentation Status](https://readthedocs.org/projects/spyrmsd/badge/?version=develop)](https://spyrmsd.readthedocs.io/en/develop/?badge=develop)

[![DOI](https://zenodo.org/badge/214157073.svg)](https://zenodo.org/badge/latestdoi/214157073)
[![Docs](https://img.shields.io/badge/docs-spyrmsd.readthedocs.io-blueviolet)](https://spyrmsd.readthedocs.io)
[![PyPI](https://img.shields.io/badge/PyPI-0.3.1%20-ff69b4)](https://pypi.org/project/spyrmsd/)
[![License](https://img.shields.io/github/license/RMeli/pyrmsd?color=%2333BBFF)](https://opensource.org/licenses/MIT)
[![PyPI](https://img.shields.io/badge/PyPI-v0.3.3%20-ff69b4)](https://pypi.org/project/spyrmsd/)
[![Conda Version](https://img.shields.io/conda/vn/conda-forge/spyrmsd.svg)](https://anaconda.org/conda-forge/spyrmsd)

Python tool for symmetry-corrected RMSD calculations.

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* [Flake 8](http://flake8.pycqa.org/en/latest/) (CI)
* [mypy](http://mypy-lang.org/) (CI)

## References

| Method | Reference | DOI |
| :-------: | -------------------------------------------------- | :--: |
| QCP | D. L. Theobald, Acta Crys. A**61**, 478-480 (2005) | [![doi](https://img.shields.io/badge/doi-10.1107%2FS0108767305015266-blue)](https://doi.org/10.1107/S0108767305015266) |
| Hungarian | W. J. Allen and R. C. Rizzo, J. Chem. Inf. Model. **54**, 518-529 (2014) | [![doi](https://img.shields.io/badge/doi-10.1021%2Fci400534h-blue)](https://doi.org/10.1021/ci400534h) |
| Connectivity | E. C. Meng and R. A. Lewis, J. Comp. Chem. **12**, 891-898 (1991) | [![doi](https://img.shields.io/badge/doi-10.1002%2Fjcc.540120716-blue)](https://doi.org/10.1002/jcc.540120716) |

## Copyright

Copyright (c) 2019-2020, Rocco Meli.
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4 changes: 2 additions & 2 deletions devtools/travis-ci/before_install.sh
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MINICONDA=Miniconda3-latest-Linux-x86_64.sh
fi
MINICONDA_HOME=$HOME/miniconda
MINICONDA_MD5=$(curl -s https://repo.continuum.io/miniconda/ | grep -A3 $MINICONDA | sed -n '4p' | sed -n 's/ *<td>\(.*\)<\/td> */\1/p')
wget -q https://repo.continuum.io/miniconda/$MINICONDA
MINICONDA_MD5=$(wget -qO- https://repo.anaconda.com/miniconda/ | grep -A3 $MINICONDA | sed -n '4p' | sed -n 's/ *<td>\(.*\)<\/td> */\1/p')
wget -q https://repo.anaconda.com/miniconda/$MINICONDA
if [[ $MINICONDA_MD5 != $(md5sum $MINICONDA | cut -d ' ' -f 1) ]]; then
echo "Miniconda MD5 mismatch"
exit 1
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