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INSTALL.md

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Installation Instructions

Building the Libraries

  1. Edit the user configurable options. Start by making a copy of the sample make options file:

    cp options.mk.sample options.mk

    Then begin editing options.mk in your favorite text editor and follow the remaining instructions.

  2. Set which compiler to use (the CCCOM variable). Make sure to include the flag -std=c++17 or similar to enable C++17.

  3. If you are using a system other than a Mac, edit PLATFORM, BLAS_LAPACK_INCLUDEFLAGS and BLAS_LAPACK_LIBFLAGS to reflect the type and location of your BLAS/LAPACK libraries. The list of currently available platforms is: mkl, lapack, macos, acml (for details see matrix/lapack_wrap.h). The PLATFORM variable selects which function signature definitions will be used to wrap vendor-specific BLAS/LAPACK fortran calls into C.

  4. Finally, at the top level of the library (same directory as this file), run the commmand "make" on the command line. If all goes well, the built library files should appear in the LIBDIR folder specified in options.mk.

Note: sometimes the library has issues compiling if the make "-j" flag is used (this flag enables parallel compilation on multi-core machines). Try disabling it (e.g. explicitly type "make -j 1") if you have compilation errors.

Building the sample and sandbox apps

We have provided sample applications under the "sample" directory. If you would like to experiment with these, consider making a copy of this folder to keep the original sample codes as a reference (and experiment on the copy).

To build the sample apps, simply 'cd' into the "sample" folder and type 'make'. To build an individual app type 'make '.

Linking your own applications to the libraries

We strongly recommend placing your own client/driver code outside the ITensor library source directory. The location you choose is up to you.

To get started quickly on your own driver code, we have put a folder called project_template under the tutorial folder. Copy the project_template folder to your personal software folder then follow the instructions in the Makefile to customize it.

Helpful Makefile variables in options.mk

The options.mk file at the top level of the ITensor source directory defines a number of Makefile variables that you may find useful in writing your own Makefiles. To include these variables, at the top of your Makefile put the lines

LIBRARY_DIR=/path/to/itensor
include $(LIBRARY_DIR)/this_dir.mk
include $(LIBRARY_DIR)/options.mk

where of course /path/to/itensor/ should be replaced with the actual location of the ITensor source directory on your machine.

Including the options.mk file in this way defines certain useful variables such as

  • ITENSOR_INCLUDEFLAGS: compiler flags (of the form -I/folder/name) specifying paths to ITensor header files, Boost header files, and BLAS/LAPACK header files.

  • ITENSOR_LIBDIR: the path to the lib/ subdirectory of the ITensor source directory

  • ITENSOR_LIBFLAGS: flags that specify the names of the statically linked ITensor library files, for example
    -litensor -lmatrix -lutilities.

  • OPTIMIZATIONS: user-defined compiler optimization flags, such as -O2. It can be helpful for these to match the ones used to build ITensor.

  • DEBUGFLAGS: user-defined compiler debug-mode flags.