SHTOOLS can be installed in several ways. If you will be using only the Python components, you should use the pip package manager. If you will be writing and compiling Fortran 95 code, you should use either the brew package manager (on macOS) or compile manually using the Makefile.

Python package installer (pip)

The easiest way to install the Python components of SHTOOLS (pyshtools) is to use pip. On Linux, macOS and windows machines, the binary wheels can be installed by executing the command

pip install pyshtools

If you wish to instead compile the archive yourself, first make sure that you have the necessary dependencies installed. On most linux distributions, this can be accomplished using

sudo apt-get install libblas-dev liblapack-dev g++ gfortran libfftw3-dev tcsh

or on macOS using brew

brew install fftw --with-fortran

Then build from source using the command

pip install pyshtools --no-binary pyshtools

If you would like to modify the source code, you should clone the SHTOOLS repo:

git clone https://github.com/SHTOOLS/SHTOOLS.git

Once the repo is cloned, enter the directory, and use either the command

pip install .

to install pyshtools in the active Python environment lib folder, or use

pip install -e .

to install the files in the current working directory and link them to the system Python directory.

To uninstall pyshtools from your system directory, use the command

pip uninstall pyshtools

Note that these commands will install only the Python version that corresponds to the version of pip being used. On some systems, it may be necessary to specify pip2.7 or pip3.x.

Fortran 95 library using brew (macOS)

If brew is already installed, it is only necessary to enter the following commands in the terminal:

brew tap shtools/shtools
brew install shtools

To also install both the standard Fortran 95 library along with the OpenMP components, add the option --with-openmp to the last command:

brew install shtools --with-openmp

Fortran 95 library using the Makefile

Before installing the Fortran 95 components of SHTOOLS, it will be necessary to have a Fortran 95 compiler and the FFTW, LAPACK, and BLAS libraries installed on your computer. After this is done, the Fortran 95 components of SHTOOLS can be compiled in most cases by executing the following command in a unix shell in the main directory:

make

To compile the Fortran 95 components with OpenMP use

make fortran-mp

To compile and run the Fortran 95 test suites, use

make fortran-tests

To delete the compiled archive, module files, object files, and test suite files, use

make clean

By default, the Makefile will use the gfortran compiler. Different compilers and options can be specified by passing optional arguments to the Makefile using the syntax

make F95 = "MyCompiler" F95FLAGS = "MyCompilerFlags"

where “MyCompiler” and “MyCompilerFlags” are to be replaced by the path of the compiler name and options, respectively. Supported options include:

F95 = "Name (including path) of the f95 compiler"
F95FLAGS = "F95 compiler options"
FFTW = Name and path of the FFTW3 library of the form "-Lpath -lfftw3"
LAPACK = Name and path of the LAPACK library of the form "-Lpath -llapack"
BLAS = Name and path of the BLAS library of the form "-Lpath -lblas"

Successful compilation will create the library file libSHTOOLS.a (and libSHTOOLS-mp.a when compiling with OpenMP) in the directory lib, and will place a few compiled module files in the directory modules. If you need to recompile SHTOOLS a second time using a different set of compiler flags, it will be necessary to first remove all the previously compiled object files by using make clean.

To make all files available at a system level, execute

make install

This will move the compiled SHTOOLS files and documentation to

SYSLIBPATH  # libSHTOOLS.a, libSHTOOLS-mp.a
SYSMODPATH  # fftw3.mod, planetsconstants.mod, shtools.mod
SYSSHAREPATH/shtools/examples  # example files
SYSSHAREPATH/man/man1  # man pages
SYSDOCPATH/shtools  # index.html, web documentation 

The locations of the above directories can be set as optional arguments passed to the Makefile, and the default locations are

SYSLIBPATH = /usr/local/lib
SYSMODPATH = /usr/local/include
SYSSHAREPATH = /usr/local/share
SYSDOCPATH = /usr/local/share/doc

To remove all installed SHTOOLS files, use

make uninstall

To access the unix man pages, it will be necessary to add SYSSHAREPATH/man to your man path.

Fortran 95 compiler specific flags and optimizations

Default compiler options are specified in the main Makefile for a few common compilers (gfortran, Absoft f95, g95, and ifort). If it is necessary to change these, consider the following guidelines.

One should always use some form of optimization when compiling SHTOOLS, such as by specifying the option

-O3

Performance will likely be increased by 10s of percent by specifying the compiler to target the host architecture

-march=host  # f95
-march=native  # gfortran

and to use fast math

-speed_math=11  # f95
-ffast-math  # gfortran

The biggest difficulty in compiling SHTOOLS is setting the compiler flags so that the external subroutine names are in a format that is compatible with the already compiled FFTW and LAPACK libraries. In general, it is necessary to ensure that the SHTOOLS subroutine names are in lower case and have the right number of underscores appended to them.

For Absoft ProFortran, this is achieved by setting

-YEXT_NAMES=LCS -YEXT_SFX=_

For g95, it will be necessary to use one of the following:

-fno-second-underscore # most likely
-fno-underscoring

For gfortran, it is generally not necessary to use any special flags, though it could arise that one of the following might be necessary:

-fno-underscoring
-fsecond-underscore

For the Intel Fortran compiler ifort, it will be necessary to use

-free -Tf

in order that the compiler recognizes files with the extension .f95 as Fortran 95 files. In this case, the f95 file should come directly after the option -Tf.

Setting the right compiler flags is more complicated when the FFTW and LAPACK libraries have different naming and underscoring conventions. In order to accommodate this case, underscores can be added explicitly to either the LAPACK or FFTW subroutine names in the SHTOOLS source code by specifying the optional make arguments when building the archive:

FFTW_UNDERSCORE = 1  # to add an extra underscore to the FFTW routine names
LAPACK_UNDERSCORE = 1  # to add an extra underscore to the LAPACK routine names

For both cases, compiler flags should probably be set so that underscores are not appended to routine names. See Fortran 95 problems for further information.

To generate 64 bit code, use the compiler option

-m64

For this case, it will be necessary to use 64-bit compiled FFTW and LAPACK libraries.

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