Commit cf9396cb authored by Yann Pouillon's avatar Yann Pouillon
Browse files

Remove the tomato subdirectory

parent 80e962ce
Fabiano Corsetti, Imperial College London, UK
* Email: fabiano.corsetti08 {at} imperial.ac.uk
* Homepage: <http://www.cmth.ph.ic.ac.uk/people/f.corsetti/>
Copyright (c) 2016, Fabiano Corsetti
All rights reserved.
Redistribution and use in source and binary forms, with or without modification,
are permitted provided that the following conditions are met:
1. Redistributions of source code must retain the above copyright notice, this
list of conditions and the following disclaimer.
2. Redistributions in binary form must reproduce the above copyright notice,
this list of conditions and the following disclaimer in the documentation
and/or other materials provided with the distribution.
THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE
FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL
DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR
SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER
CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR
TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF
THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
tomato
======
Description
-----------
tomato (toy matrices on-the-fly) generates realistic Hamiltonian and overlap
matrices to use as test cases for Kohn-Sham ground-state solvers.
Installation
------------
For the moment, there is only a manual build system which makes use of the files
named Makefile.manual. The manual installation is explained below.
To install the library manually:
1. Enter the `src` directory.
2. Copy `make.inc.example` to `make.inc` and modify it to suit your needs.
Available options for `FPPFLAGS` are:
* `-DHAVE_MPI`: enable MPI parallel routines
* `-DNORAND`: fixed seed for the random number generator. Enable for testing
purposes.
3. Type `make -f Makefile.manual`.
4. Type `make -f Makefile.manual install`.
Testing
-------
Coming soon.
Documentation
-------------
Coming soon.
include make.inc
.SUFFIXES:
.SUFFIXES: .o .a .f90 .F90
all : $(LIBNAME)
ALLOBJ = tomato_TB.o
$(LIBNAME) : $(ALLOBJ)
$(ARCH) $(ARCHFLAGS) $@ $(ALLOBJ)
$(RANLIB) $@
install :
if [ ! -d $(BUILDPATH) ]; then mkdir $(BUILDPATH); fi; \
if [ ! -d $(BUILDPATH)/include ]; then mkdir $(BUILDPATH)/include; fi; \
if [ ! -d $(BUILDPATH)/lib ]; then mkdir $(BUILDPATH)/lib; fi; \
cp *.mod $(BUILDPATH)/include; \
cp *.a $(BUILDPATH)/lib;
clean :
rm -f *.a
rm -f *.o
rm -f *.mod
.F90.o :
$(FORTRAN) $(OPTS) $(FPPFLAGS) -c $< -I$(MSWINCLUDEPATH) -I$(PSPINCLUDEPATH) $(DBCSRINC) -o $@
.f90.o :
$(FORTRAN) $(OPTS) -c $< -I$(MSWINCLUDEPATH) -I$(PSPINCLUDEPATH) $(DBCSRINC) -o $@
ROOTDIR = ../..
include $(dir $(lastword $(MAKEFILE_LIST)))/$(ROOTDIR)/make.inc
LIBNAME = $(TOMLIBNAME)
BUILDPATH = $(TOMBUILDPATH)
PSPINCLUDEPATH = $(PSPBUILDPATH)/include
MSWINCLUDEPATH = $(MSWBUILDPATH)/include
SHELL = /bin/sh
FORTRAN = mpif90
OPTS = -O3
FPPFLAGS = -DHAVE_MPI
ARCH = ar
ARCHFLAGS = cr
RANLIB = ranlib
LIBNAME = libtomato.a
BUILDPATH = ..
PSPINCLUDEPATH = ../../pspBLAS/include
MSWINCLUDEPATH = ../../MatrixSwitch/include
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