Download and Installation - maise-guide/maise GitHub Wiki

Download

The source code for MAISE can be obtained from the commandline by running:

git clone git://github.com/maise-guide/maise.git

or

git clone https://github.com/maise-guide/maise.git

or

wget -O master.zip https://github.com/maise-guide/maise/archive/master.zip
unzip master.zip

Installation

The code has been extensively tested on Linux platforms. We will appreciate users' feedback on the installation and performance of the package on different platforms.

1 For full functionality, MAISE requires the GSL library and the Spglib package (Version 1.11.2.1, February 2019).

2 The MAISE installation automatically configures the dependencies by checking if these libraries are already present. If not, they will be downloaded to the local directory ./ext-dep and will be installed in the local ./lib directory. The downloaded and installed libraries can be deleted after the successful compilation of MAISE.

3 If the GSL or SPGLIB library installation is not completed automatically please install them manually and copy (i) libgsl.a, libgslcblas.a and libsymspg.a into the ./lib subdirectory; (ii) the spglib.h header into ./lib/include subdirectory; and (iii) all gsl headers into the ./lib/include/gsl subdirectory.

4 Use 'make --jobs' for full compilation, 'make clean' for cleaning most relevant objects, and 'make clean-all' for cleaning all objects.

5 A “check” script is available in the examples/ directory which can be run after compiling the maise to ensure the proper functionality of the code. This script automatically checks for the performance of the code in parsing the data, training the neural network, relaxing a crystal structure, and performing an internal evolutionary search. If the compilation is fine the “check” script will output so; otherwise error logs will be provided with further information about the issue.