Copyright © 1998–2025 by A. Miyoshi
SSUMES - Installation
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SSUMES - Installation
Unpacking
  1. Change directory to where ssumes.zip has been copied.
  2. Unzip ssumes.zip as:
    unzip ssumes.zip
    For unpacking, you may use other tools, such as the built-in tool on Windows (ME or later), if you do not have unzip.
  3. SSUMES source files are unpacked in the newly created directory ./ssumes/source.
  4. SSUMES sample input files can be found in ./ssumes/sample.
  5. Modified UNIMOL source files are unpacked in the newly created directory ./ssumes/unimol.
  6. HTML document files can be found in ./ssumes/doc.
Building SSUMES components
* Skip this and next part, and go to MS-Windows binaries when you are to use compiled binary for MS-Windows.
  1. Change directory to newly created directory ssumes/source.
  2. Investigate sample makefiles and edit one if necessary to fit your environment and platform. Followings are short descriptions of sample make files:
    makeGnu.make for GNU compilers on Unix-like platforms
    makeGnuLB.make for GNU compilers on Unix-like platforms with prebuilt LAPACK/BLAS
    makeIntel64oapiLinux.make for Intel oneAPI 2025 & later on Linux
    makeIntel64oapiLinuxMKL.make for Intel oneAPI 2025 & later on Linux (static link with sequential MKL)
    makeIntel64oapiWin.make for Intel oneAPI 2025 & later on Windows
    makeIntel64oapiWinMKL.make for Intel oneAPI 2025 & later on Windows (static link with sequential MKL)
    makeIntelLinux.make for Intel compilers on Linux
    makeIntelWin.make for Intel compilers on Windows
  3. Build (compile and link) using the makefile as;
    make -f makefile-name
    for Unix-like platforms including Cygwin and MinGW/MSYS on MS-Windows, or
    nmake -f makefile-name
    for genuine Intel compilers for MS-Windows.
  4. Remove the intermediate files by;
    (n)make -f makefile-name clean
  5. Install executable files as
    (n)make -f makefile-name install
Building UNIMOL components
  1. Change directory to newly created directory ssumes/unimol.
  2. Investigate sample makefiles and edit one if necessary to fit your environment and platform.
  3. Build (compile and link) using the makefile as;
    make -f makefile-name
    for Unix platforms including Cygwin on MS-Windows, or
    nmake -f makefile-name
    for genuine Intel compilers for MS-Windows.
  4. Remove the intermediate files by;
    (n)make -f makefile-name clean
  5. Install executable files as
    (n)make -f makefile-name install
MS-Windows binaries
  1. For MS-Windows, for which the building tools are not provided with the system, pre-built binary files may be useful.   Unpack the prebuilt MS-Windows binaries as:
    unzip ssumes-win32-binary.zip
    or by other unzip tools.
  2. Binary executable files can be found in ./ssumes-win32-binary.
  3. The binary package does not contain the sample files nor documentation.   Unpack the source package ssumes.zip according to the Unpacking instruction on top of this page.   Move the binary executable files into ssumes folder which is the default location of the executables.
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