Skip to content

Commit

Permalink
added INSTALl illustration
Browse files Browse the repository at this point in the history
  • Loading branch information
quanshengwu committed Oct 15, 2018
1 parent 1254318 commit 274b3b7
Show file tree
Hide file tree
Showing 3 changed files with 33 additions and 1 deletion.
31 changes: 31 additions & 0 deletions INSTALL
Original file line number Diff line number Diff line change
@@ -0,0 +1,31 @@
WannierTools is written in Fortran90. Eventually, Fortran compiler is required to install it. At present,
we only support the installation on Mac or Linux or other Unix like systems.

1. Download the package
a. You can download the latest develop branch by using "git clone"
git clone https://github.com/quanshengwu/wannier_tools.git
b. You could also download the release version on page
https://github.com/quanshengwu/wannier_tools/releases

2. After the download, uncompress it if necessary. The source file is included in the soc/ folder.
The executable binary will be copied to bin/ folder after compilation. There are several examples
in the examples/ folder. The symmetrization module is in the wannhr_symm/ folder which is an
independent python package.

3. Go into the folder soc/ for the compilation. We prepared several Makefiles for different usage.
Please copy the one that you need into Makefile like

cp Makefile.intel-mpi Makefile


4. Modify Makefile
a. Choose the lapack and Blas library by setting LIBS.
b. if you want to use mpi, please add -DMPI as an option of compiler F90.

5. Make it by typing

make

6. After the compilation, binary wt.x will be generated and copied to ../bin/ folder.

7. About the usage, please visit website www.wanniertools.com
2 changes: 1 addition & 1 deletion soc/Makefile.intel-mpi
Original file line number Diff line number Diff line change
Expand Up @@ -14,7 +14,7 @@ F90 = mpiifort -fpp -DMPI

INCLUDE = -I${MKLROOT}/include
WFLAG = -warn all
OFLAG = -g -traceback -static-intel
OFLAG = -O3 -g -traceback -static-intel
FFLAG = $(OFLAG) $(WFLAG)
LFLAG = $(OFLAG)

Expand Down
1 change: 1 addition & 0 deletions soc/main.f90
Original file line number Diff line number Diff line change
Expand Up @@ -14,6 +14,7 @@
! Jan 25 2015 by Q.S.Wu at ETH Zurich
! version 2.2.1 At EPFL, Switzerland, Sep. 14. 2017
! version 2.4.0 At EPFL, Switzerland, Aug. 31. 2018
! version 2.4.1 At EPFL, Switzerland, Oct. 15. 2018
! [email protected]
! Copyright (c) 2017 QuanSheng Wu. All rights reserved.
!--------+--------+--------+--------+--------+--------+--------+------!
Expand Down

0 comments on commit 274b3b7

Please sign in to comment.