CMake scripts have been added.
(Deprecated) Makefile
Please always run make -f make/Makefile create_build to create a build
directory first in order to generate other files in the build directory
required by Makefile.
The version of g++ cannot be overly recent, in case nvcc might fail to support.
I also believe version 4.x is outdated for some of the C++11 features used here.
If you don't plan to send us pull requests on Github, and you don't want to get the entire history of the source code, you can clone a few recent versions by
git clone --depth 5 https://github.com/zhi-wang/tinker.gpuTo get the full git history,
git clone https://github.com/zhi-wang/tinker.gpuIf you are planning to send us pull requests, please fork this project to your personal Github account.
Directly downloading zip file from Github webpage would work but is not recommended because of the following cons:
- No Git commit information to keep track of issues or bugs.
- Tinker submodule would not work.
- Has to download zip file in the furture for new commits.
- Prerequisites
- Build the Canonical Tinker (important to get THE REQUIRED version of Tinker)
- Build Tinker GPU with CMake or (Deprecated) Build Tinker GPU with Makefile
Links are only functional on GitHub.
For more information, visit the user manual hosted on github.io.