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* Step-by-step instructions to build KAPSEL [#m21c6f6d]
* Installation of KAPSEL binary [#h03d9749]

** STEP 0: Linux or Windows? [#aee6273c]
** STEP 1: Download "KAPSEL" [#ja8071fa]

- To build KAPSEL on Linux, goto STEP 1.
- 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.

- To build KAPSEL on Windows,  install "[[Cygwin:http://cygwin.com]]" first, then goto STEP 1. Be sure to include "gcc" and "make" packages.
- Follow "DOWNLOAD" -> "KAPSEL-2" -> "KAPSEL-2" to download "kapsel2_linux.tar.gz" (Linux) or "kapsel2_win.zip" (Windows) .

- KAPSEL can be build also on Mac OS-X. (not officially supported)
** STEP 2: Test "KAPSEL" [#l8a9ee25]

** STEP 1: Download and install "Gourmet" [#hdf41283]
- "Gourmet" is a graphic platform developed by OCTA project. The entire OCTA package is not necessarily. Only Gourmet is required to use KAPSEL.
- for Linux

- Visit [[OCTA-BBS:http://octa001.muse.aist.go.jp/phpBB3/]] and Login. Registration is required if you haven't yet complete it.
    > tar zxvf kapsel2_linux.tar.gz
    > ./kapsel -Isample1.udf -Ooutput.udf -Ddefine.udf -Rrestart.udf

- Follow "DOWNLOAD" -> "OCTA2007" -> "Platform GOURMET2007 in OCTA2007 (for Windows)"  or "GOURMET 4.1.0 (on OCTA2007) for Windows and Linux" to download "Gourmet" package.
- for Windows
-- unzip "kapsel2_win.zip"
-- open command prompt

- Follow the instruction there to install "Gourmet". 
    > kapsel -Isample1.udf -Ooutput.udf -Ddefine.udf -Rrestart.udf

** STEP 2: Build "libplatform" [#tbb7046c]
- If you see the output as shown below, KAPSEL has been successfully installed.

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

- Instruction for Linux:

    > su
    > cd /usr/local/OCTA2007/GOURMET_2007
    > tar xvfpz gourmet*_src.tar.gz
    > cd src
    > make
    > make install

- Instruction 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" [#ja8071fa]

- 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" to download "kapsel.tar.gz".

** STEP 4: Build "KAPSEL" [#yd1b04b3]

    > tar xvfpz kapsel.tar.gz
    > make

** STEP 5: Test "KAPSEL" [#l8a9ee25]

    > ./kapsel -Isample1.udf -Ooutput.udf -Ddefine.udf -Rrestart.udf
    #using sample1.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 [#hc2750d1]

** STEP 2a: Build "libplatform" with icc on Linux [#t9627f89]
** STEP 3: Download and install "Gourmet" [#hdf41283]
- "Gourmet" is a graphic platform developed by OCTA project. The entire OCTA package is not necessarily. Only Gourmet is required to use KAPSEL.

- for icc 7.1:
- Visit [[OCTA-BBS:http://octa001.muse.aist.go.jp/phpBB3/]] and Login. Registration is required if you haven't yet complete it.

    > su
    > cd /usr/local/OCTA2007/GOURMET_2007/src
    > make clean
    > make WITHFC=no CC=icc CXX=icc
    > make install
- Follow "DOWNLOAD" -> "OCTA2007" -> "Platform GOURMET2007 in OCTA2007 (for Windows)"  or "GOURMET 4.1.0 (on OCTA2007) for Windows and Linux" to download "Gourmet" package.

- for icc8.0:
- For Linux

    > su
    > cd /usr/local/OCTA2007/GOURMET_2007/src
    > make clean
    > make WITHFC=no CC=icc CXX="icpc -U GNU "
    > make install
-- download "gourmet_2007_linux.tar.gz"

- for icc8.1 or later:

    > tar zxvf gourmet_2007_linux.tar.gz
    > su
    > cd /usr/local/OCTA2007/GOURMET_2007/src
    > make clean
    > make WITHFC=no CC=icc CXX="icpc -lcxaguard"
    > make install
    > mkdir /usr/local/OCTA2007
    > mv GOURMET_2007 /usr/local/OCTA2007/.

- numerous warnings may appear but can be ignored them.
- For Windows

** STEP 4a: Build "KAPSEL" with icc on Linux [#zb3a949c]
-- click "GOURMET2007.exe"

- for icc

    > make clean
    > make ENV=ICC

- for icc + MKL + OpenMP

    > make clean
    > make ENV=ICC_MKL_OMP

- numerous warnings may appear but can be ignored them.