pmla / auguste Goto Github PK
View Code? Open in Web Editor NEWMinimum-strain symmetrization of Bravais lattices
License: MIT License
Minimum-strain symmetrization of Bravais lattices
License: MIT License
Making a separate issue out of the problem described in #4:
... the pip install doesn't work on macOS without manually modifying the setup.py to set
MACOSX_DEPLOYMENT_TARGET
.
@mkhorton, can you paste your modified setup.py
? I am not a macOS user but I will modify the travis CI script so that this gets tested properly.
There seem to be compilation errors on macOS, this has been a common issue with several codes so should be an easy fix in your setup.py
:
warning: include path for stdlibc++ headers not found; pass '-stdlib=libc++' on the command line to use the libc++ standard library instead [-Wstdlibcxx-not-found]
See here for a fix: https://github.com/pandas-dev/pandas/blob/8e4424fbcfc98d23085ddbcf8765946bc85da035/setup.py#L477 (thanks @utf)
Also, I was wondering if you were planning to release this on PyPI for a normal pip install
? This looks like a great code, would look forward to using it!
Hello,
Thanks for the excellent code and paper, which is very interesting.
I was trying out Auguste and it seems to work on 99% of cells but I sometimes receive a symmetrization failed
error. Is it expected that symmetrization would fail in some cases?
For example, consider this cell:
[[-5.35538034 -0.1350599 -5.2795042 ]
[ 5.35538034 -5.2795042 -0.1350599 ]
[-5.35538034 -5.2795042 -0.1350599 ]]
Separately, the pip install doesn't work on macOS without manually modifying the setup.py to set MACOSX_DEPLOYMENT_TARGET
.
Many thanks!
A declarative, efficient, and flexible JavaScript library for building user interfaces.
๐ Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
The Web framework for perfectionists with deadlines.
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. ๐๐๐
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
Some thing interesting about web. New door for the world.
A server is a program made to process requests and deliver data to clients.
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
Some thing interesting about visualization, use data art
Some thing interesting about game, make everyone happy.
We are working to build community through open source technology. NB: members must have two-factor auth.
Open source projects and samples from Microsoft.
Google โค๏ธ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.