libmsym
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mcodev31
molecular point group symmetry lib
CMake version `3.12` has introduced `generate_export_header()` for C projects ([see documentation](https://cmake.org/cmake/help/latest/module/GenerateExportHeader.html)). 🙂 The version bump also fixes https://github.com/mcodev31/libmsym/issues/18.
I built [Avogadro](https://github.com/OpenChemistry/openchemistry), which has `libmsym` as a dependency, on a MacBook M1 and it worked fine after locally building/compiling and installing `libmsym` from the source code. However, it would...
I implemented display of equivalent sets of atoms in Avogadro v2: In the process, I realized that once you get the sets, there's no way to relate the atoms in...
Hi! Your code is great but some functionalities are missing in the Python library. For instance, it would be great if you could add the GetSubgroups, SelectSubgroup and AlignAxes functions....
``` CMake Deprecation Warning at CMakeLists.txt:1 (cmake_minimum_required): Compatibility with CMake < 2.8.12 will be removed from a future version of CMake. Update the VERSION argument value or use a ......
Hello, I am trying to package libmsym into openSUSE Leap and Tumbleweed. I use cmake and gcc to compile the package. I tried add the cmake flag as follow: %cmake...
Hej Marcus, I try to use your library for detecting pointgroups in my [python module chemcoord](https://github.com/mcocdawc/chemcoord). There is a bug in ``__repr__`` of your SymmetryOperation class which can be reproduced...
Made changes in the code to make it PEP8 compatible, changed .gitignore to ignore eggfiles from python build and Replaced creation of strings via overloaded + operator with the format...
I would like to package your library into the anaconda package manager. I will write the conda recipes and make a pull request to your repo. The only question is...