choderalab software-development issues

choderalab / software-development

A primer on software development best practices for computational chemistry

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issues

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Small spelling and grammar fixes

#106 jaketanderson opened 1 year ago
0
Recommend using 'duecredit' to ensure downstream tools can properly cite all modules?

#105 jchodera opened 2 years ago
1
Add "care and feeding of a changelog and release notes"

#104 jchodera opened 2 years ago
0
Excised cookiecutter from PHILOSOPHY and SCOPE

#103 dotsdl opened 2 years ago
0
Add CI to automate testing for broken links

#102 jchodera opened 2 years ago
0
Continuous Integration: Recommend GitHub Actions

#101 jchodera opened 2 years ago
0
Unit Tests: Recommend pytest and explain rationale

#100 jchodera opened 2 years ago
0
Unit Tests: Replace pymbar example with better examples

#99 jchodera opened 2 years ago
0
Unit Tests: Add sections on how to parameterize tests and build test fixtures

#98 jchodera opened 2 years ago
0
Python Coding Conventions: Clarify docstring conventions, especially for array shapes

#97 jchodera opened 2 years ago
1
Add section on installing Python and configuring your development environment

#96 jchodera opened 2 years ago
0
Add section on writing command-line arguments (CLI)

#95 jchodera opened 2 years ago
0
Add section on serializing objects and reading/writing data

#94 jchodera opened 2 years ago
0
Add section on recommended libraries

#93 jchodera opened 2 years ago
0
Python Coding Convention: Add discussion of type annotations

#92 jchodera opened 2 years ago
0
Add information about setting up pre-commit CI

#91 jchodera opened 2 years ago
0
Be explicit about why we work with branches instead of forks on lab repo

#90 jchodera opened 2 years ago
0
Be more explicit about our current git workflow

#89 jchodera opened 2 years ago
0
Move recommendations to top for all sections

#88 jchodera opened 2 years ago
0
In VERSION_CONTROL.md change master to main

#87 mikemhenry opened 2 years ago
0
Mention GitLab in Version Control section

#86 jchodera opened 2 years ago
0
Update cookiecutter (and fork to lab version) to be more up to date with current practices

#85 jchodera opened 2 years ago
0
Update Structuring your Project with current cookiecutter structure

#84 jchodera opened 2 years ago
0
Add licensing discussion about data (CC0) and documentation (CC-BY) licenses

#83 jchodera opened 2 years ago
0
Create a single-page quickstart with pointers to more detail in other sections

#82 jchodera opened 2 years ago
0
Excise cookiecutter from PHILOSOPHY AND SCOPE

#81 jchodera opened 2 years ago
0
Software developer

#80 amirmurta closed 2 years ago
0
Add suggestions on how to create good minimal, reproducible examples

#79 jchodera opened 2 years ago
0
Developers

#78 Kershi23 closed 2 years ago
0
Update PYTHON_CODING.md

#77 chfw closed 3 years ago
0
UNIT_TESTING.md: mention codecov

#76 jayvdb closed 3 years ago
0
Mention Hypothesis in the advanced unittesting section

#75 pckroon opened 4 years ago
0
Which testing framework should we recommend? nose2 or pytest?

#74 jchodera opened 4 years ago
6
Update "Structuring your Project" to match updated MolSSI cookiecutter structure

#73 jchodera opened 4 years ago
0
Edits, updates, and refinements

#72 jchodera closed 4 years ago
2
Google guide to code reviews

#70 jchodera opened 4 years ago
0
Fix GROMACS example

#69 mabraham closed 4 years ago
0
Markdown tip

#68 CatChenal opened 5 years ago
0
Add expanded section describing code coverage assessment

#67 jchodera opened 5 years ago
0
LiveCOMS Article based on this?

#66 justinGilmer opened 5 years ago
8
Fixing typos

#65 shivupa closed 5 years ago
0
"steep learning curve"

#64 agrossfield opened 5 years ago
0
Document standards for version numbers and releases

#63 jchodera opened 5 years ago
3
Python code formatter

#62 malramsay64 closed 3 years ago
3
Link PyPI tutorial to PyPA user guide

#61 malramsay64 closed 5 years ago
0
Add discussion of using a CLA to allow future software relicensing

#60 jchodera opened 6 years ago
1
Include discussion of Reproducible Research Standard

#59 jchodera closed 6 years ago
1
Add cookiecutter pointer to Philosophy page

#58 Lnaden closed 6 years ago
0
Cookiecutter for Computational Chemistry Python Packages

#57 Lnaden closed 6 years ago
4
Cross-check (and draw from?) Netherlands eScience book

#56 davidlmobley opened 6 years ago
0