* Step-by-step instructions to build KAPSEL [#s1fa1365]
- If KAPSEL binaries do not run on your machine, or if you want to modify KAPSEL source codes for your own purpose, you can build KAPSEL binaries from the source package.

** STEP 0: Linux or Windows? [#sd4e991d]

- To build KAPSEL on Linux, goto STEP 1.

- To build KAPSEL on Windows,  install "[[Cygwin:http://cygwin.com]]" first, then goto STEP 1. Be sure to include "gcc" and "make" packages.

- KAPSEL can be build also on Mac OS-X. (not officially supported)

** STEP 1: Download and install "Gourmet" [#b5c31f22]

- Visit [[OCTA-BBS:http://octa001.muse.aist.go.jp/phpBB3/]] and Login. Registration is required if you haven't yet complete it.

- For Linux
-- Follow "DOWNLOAD" -> "OCTA2007" -> "GOURMET 4.1.0 (on OCTA2007) for Windows and Linux".
-- download "gourmet_2007_linux.tar.gz"

    > tar zxvf gourmet_2007_linux.tar.gz
    > su
    > mkdir /usr/local/OCTA2007
    > mv GOURMET_2007 /usr/local/OCTA2007/.

- For Windows
-- Follow "DOWNLOAD" -> "OCTA2007" -> "Platform GOURMET2007 in OCTA2007 (for Windows)".
-- download "GOURMET2007.exe" and click it.

** STEP 2: Build "libplatform" [#b16eb306]

- "libplatform" is an I/O library developed by OCTA project. One needs this library to access to UDF-formatted files.

- For Linux:

    > su
    > cd /usr/local/OCTA2007/GOURMET_2007
    > tar zxvf gourmet2007_src.tar.gz
    > cd src
    > make
    > make install

- For Windows: 
-- Logon Windows with an administrator authorization
-- Open Cygwin window

    $ ln -s /cygdrive/c/OCTA2007/ /usr/local/.
    $ cd /usr/local/OCTA2007/GOURMET_2007
    $ unzip GOURMET_2007_SRC.zip
    $ cd src
    $ make
    $ make install


** STEP 3: Download "KAPSEL" source code [#hcf749f2]

- Visit [[KAPSEL-BBS:http://www.cheme.kyoto-u.ac.jp/1koza/kapsel/phpBB3/]] and Login. Registration is required if you haven't yet complete it.

- Follow "DOWNLOAD" -> "KAPSEL-2" -> "KAPSEL-2 source code" to download "kapsel.tar.gz".

** STEP 4: Build "KAPSEL" binary executable [#h2d3c3c3]

    > tar xvfpz kapsel.tar.gz
    > make

** STEP 5: Test run [#l7319ece]

    > ./kapsel -Icolloid_1.udf -Ooutput.udf -Ddefine.udf -Rrestart.udf
    #using colloid_1.udf as input
    #using output.udf as output
    #using define.udf as definition
    #using restart.udf as restart
    #
    # Electrolyte eq. selected.
    #
    ...
- If you see the output as shown in the above panel, KAPSEL has been successfully built.

* Optional information for Intel compiler [#v2b1c8eb]

** STEP 2a: Build "libplatform" with icc on Linux [#b16eb306]

- For icc 7.1:

    > su
    > cd /usr/local/OCTA2007/GOURMET_2007/src
    > make clean
    > make WITHFC=no CC=icc CXX=icc
    > make install

- For icc8.0:

    > su
    > cd /usr/local/OCTA2007/GOURMET_2007/src
    > make clean
    > make WITHFC=no CC=icc CXX="icpc -U GNU "
    > make install

- For icc8.1 or later:

    > su
    > cd /usr/local/OCTA2007/GOURMET_2007/src
    > make clean
    > make WITHFC=no CC=icc CXX="icpc -lcxaguard"
    > make install

** STEP 4a: Build "KAPSEL" with icc on Linux [#h2d3c3c3]

- For icc

    > make clean
    > make ENV=ICC

- For icc + MKL + OpenMP

    > make clean
    > make ENV=ICC_MKL_OMP