* Step-by-step instructions to build KAPSEL [#m21c6f6d] ** STEP 0: Linux or Windows? [#aee6273c] - 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" [#hdf41283] - "Gourmet" is a graphic platform developed by OCTA project. The entire OCTA package is not necessarily. Only Gourmet is required to use KAPSEL. - Visit [[OCTA-BBS:http://octa001.muse.aist.go.jp/phpBB3/]] and Login. Registration is required if you haven't yet complete it. - Follow "DOWNLOAD" -> "OCTA2007" -> "Platform GOURMET2007 in OCTA2007 (for Windows)" or "GOURMET 4.1.0 (on OCTA2007) for Windows and Linux" to download "Gourmet" package. - Follow the instruction there to install "Gourmet". ** STEP 2: Build "libplatform" [#tbb7046c] - "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] - 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 - numerous warnings may appear but can be ignored them. ** STEP 4a: Build "KAPSEL" with icc on Linux [#zb3a949c] - 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.