From 724289ac7ed506cfa8d96247095c1cde7e631d40 Mon Sep 17 00:00:00 2001 From: Rocco Meli Date: Sun, 5 Apr 2020 16:21:03 +0200 Subject: [PATCH 1/5] added conda version to readme --- README.md | 7 +++++-- 1 file changed, 5 insertions(+), 2 deletions(-) diff --git a/README.md b/README.md index 74c7c1e..748eeb7 100644 --- a/README.md +++ b/README.md @@ -4,14 +4,17 @@ [![Build status](https://ci.appveyor.com/api/projects/status/31ubs980idhv1qw8/branch/develop?svg=true)](https://ci.appveyor.com/project/RMeli/spyrmsd/branch/master) [![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) + +[![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) ![flake8](https://github.com/RMeli/spyrmsd/workflows/flake8/badge.svg) ![mypy](https://github.com/RMeli/spyrmsd/workflows/mypy/badge.svg) +[![PyPI](https://img.shields.io/badge/PyPI-v0.3.2%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) + [![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) Python tool for symmetry-corrected RMSD calculations. From 04cc4f03d623d33efe355080cb5ace0a10967d29 Mon Sep 17 00:00:00 2001 From: Rocco Meli Date: Mon, 6 Apr 2020 09:24:15 +0200 Subject: [PATCH 2/5] readme --- README.md | 10 ++++------ 1 file changed, 4 insertions(+), 6 deletions(-) diff --git a/README.md b/README.md index 748eeb7..8e05224 100644 --- a/README.md +++ b/README.md @@ -2,20 +2,18 @@ [![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) [![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) -![flake8](https://github.com/RMeli/spyrmsd/workflows/flake8/badge.svg) -![mypy](https://github.com/RMeli/spyrmsd/workflows/mypy/badge.svg) - -[![PyPI](https://img.shields.io/badge/PyPI-v0.3.2%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) - [![DOI](https://zenodo.org/badge/214157073.svg)](https://zenodo.org/badge/latestdoi/214157073) [![License](https://img.shields.io/github/license/RMeli/pyrmsd?color=%2333BBFF)](https://opensource.org/licenses/MIT) +[![PyPI](https://img.shields.io/badge/PyPI-v0.3.2%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. From 552ead71b29774c6888965257e51ba8a6abad5ab Mon Sep 17 00:00:00 2001 From: Rocco Meli Date: Fri, 10 Apr 2020 23:07:59 +0200 Subject: [PATCH 3/5] update conda URL --- devtools/travis-ci/before_install.sh | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/devtools/travis-ci/before_install.sh b/devtools/travis-ci/before_install.sh index d7bed95..e20453b 100755 --- a/devtools/travis-ci/before_install.sh +++ b/devtools/travis-ci/before_install.sh @@ -15,8 +15,8 @@ else 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> */\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> */\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 From 9511a5cac055105fc5a44c1f2e9549f8c252e84c Mon Sep 17 00:00:00 2001 From: Rocco Meli Date: Sat, 11 Apr 2020 11:08:21 +0200 Subject: [PATCH 4/5] Prepare for new release --- .github/PULL_REQUEST_TEMPLATE.md | 12 ++++-------- .github/workflows/pypi.yml | 1 + README.md | 2 +- 3 files changed, 6 insertions(+), 9 deletions(-) diff --git a/.github/PULL_REQUEST_TEMPLATE.md b/.github/PULL_REQUEST_TEMPLATE.md index c772b96..15c62c9 100644 --- a/.github/PULL_REQUEST_TEMPLATE.md +++ b/.github/PULL_REQUEST_TEMPLATE.md @@ -1,12 +1,8 @@ ## 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 + -## Questions -- [ ] Question1 +## Checklist -## Status -- [ ] Ready to go \ No newline at end of file +- [ ] Tests +- [ ] Documentation \ No newline at end of file diff --git a/.github/workflows/pypi.yml b/.github/workflows/pypi.yml index 4dd0968..de06c24 100644 --- a/.github/workflows/pypi.yml +++ b/.github/workflows/pypi.yml @@ -3,6 +3,7 @@ name: pypi on: release: types: [created] + branches: [master] jobs: deploy: diff --git a/README.md b/README.md index 8e05224..fc966c7 100644 --- a/README.md +++ b/README.md @@ -12,7 +12,7 @@ [![DOI](https://zenodo.org/badge/214157073.svg)](https://zenodo.org/badge/latestdoi/214157073) [![License](https://img.shields.io/github/license/RMeli/pyrmsd?color=%2333BBFF)](https://opensource.org/licenses/MIT) -[![PyPI](https://img.shields.io/badge/PyPI-v0.3.2%20-ff69b4)](https://pypi.org/project/spyrmsd/) +[![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. From 485cb3bcce2e3690af936a7fac104f432630528a Mon Sep 17 00:00:00 2001 From: Rocco Meli Date: Sat, 11 Apr 2020 11:13:55 +0200 Subject: [PATCH 5/5] removed technical references from README --- README.md | 8 -------- 1 file changed, 8 deletions(-) diff --git a/README.md b/README.md index fc966c7..2f20aa3 100644 --- a/README.md +++ b/README.md @@ -117,14 +117,6 @@ To ensure code quality and consistency the following tools are used during devel * [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.