CMake build

You can build MOPAC yourself from the source code in its GitHub repository. From a Linux shell command prompt, the commands to clone the GitHub repository and enter the root directory is:

git clone git@github.com:openmopac/mopac.git
cd mopac

MOPAC is built using a CMake 3.x build system with tests orchestrated using CTest. The minimum required CMake version is presently 3.14.

CMake performs out-of-source builds, with the canonical sequence of Linux shell commands:

mkdir build
cd build   
cmake ..   
make

starting from the root directory of the MOPAC repository. MOPAC should build without any additional options if CMake successfully detects a Fortran compiler and BLAS/LAPACK libraries. Otherwise, the cmake .. command may require additional command-line options to specify a Fortran compiler (-DCMAKE_Fortran_COMPILER=...)
or the path (-DMOPAC_LINK_PATH=...) and linker options (-DMOPAC_LINK=...) to link BLAS and LAPACK libraries to the MOPAC executable. The CTest-based testing also requires an installation of Python 3.x and Numpy that can be detected by CMake.

To build MOPAC with MolSSI Driver Interface (MDI) support enabled, use the CMake command-line option -DMDI=ON.

After a successful CMake build, the MOPAC executable and shared libraries will be in the out-of-source build directory (e.g. /build). The executable can then be tested with the shell command ctest unless testing has been disable. Finally, MOPAC can be installed with the shell command make install.