OpenCAP
Electronic structure of metastable states
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Building OpenCAP requires the following:
All of these dependencies are available through standard package managers such as Homebrew, Conda, and yum/apt-get on Linux.
The following packages are automatically built at the CMake step (no action required):
These steps have been tested on MacOS 12.3, and on Centos7.
First clone the git repo
git clone https://github.com/gayverjr/opencap.git cd opencap/opencap
Then generate the Makefile using CMake
mkdir build cd build cmake -DCMAKE_INSTALL_PREFIX=/path/to/install/dir ..
Once the Makefile is generated, build and install the executable.
make make install
MacOS/Linux
For Mac/Linux users, any compiler which fully supports the C++17 standard should work (e.g GCC 7.x or later). If you are unsure, try updating to the latest version of your compiler.
For Linux users, depending on your distribution, you may also need to install Python3 development libraries e.g. sudo apt-get install python3.x-dev
.
To verify your installation, run the tests in the build directory
make test
To run OpenCAP, specify an input file from the command line
/path/to/opencap input_file.in
See the examples directory and our input page to help get you started.