LAPACK

Revision History

• 9 Feb 2026 revision by Kazuyuki Takeda
• 17 Dec 2019 Note on version compatibility added by Kazuyuki Takeda
• 16 Oct 2018 minor revision by Kazuyuki Takeda
• 28 Aug 2018 minor correction by Kazuyuki Takeda
• 20 Jul 2018 first version by Kazuyuki Takeda

Introduction

• We have implemented Singular Value Decomposition (SVD) for covariance NMR.
• Accordingly, we require LAPACK installed for the compilation of the opencore NMR software.
• For Mac, we do not have to do anything as Xcode includes it, whereas for Windows and Linux, we need to compile LAPACK.
• As of 2026 Feb, (version 2.1.0), the code is compatible with the latest release (lapack-3.12.1), or versions higher than 3.9.0.
• I found the number of arguments required for function zgesvd_ (used for singular value decomposition) changed. Accordingly, in svd.cpp: zgesvd_(&jobu, &jobvt, &m, &n, a, &lda, s, u, &ldu, vt, &ldvt, work, &lwork, rwork, &info); has been revised to zgesvd_(&jobu, &jobvt, &m, &n, a, &lda, s, u, &ldu, vt, &ldvt, work, &lwork, rwork, &info,1,1);
• Since Tthis holds for windows and linux, and not for osx, the following compilation option is stated in svd.cpp:

  #ifdef __APPLE__
    zgesvd_(&jobu, &jobvt, &m, &n, a, &lda, s, u, &ldu, vt, &ldvt, work, &lwork, rwork, &info);
  #else  // recent lapack
    zgesvd_(&jobu, &jobvt, &m, &n, a, &lda, s, u, &ldu, vt, &ldvt, work, &lwork, rwork, &info,1,1);
  #endif
  

Linux

• Make sure gfortran is installed in your system.
• First, we need to download the source from http://www.netlib.org/lapack/. Then, we compile and copy the library files as follows.
• IMPORTANT: I found that lapack-3.9.0 causes error (template with C linkage error) during compilation of the Opencore NMR software. At this moment (17 Dec 2019) I suggest to compile lapack-3.8.0. (see abve)
• cp make.inc.example make.inc
• make blaslib cblaslib lapacklib tmglib lapackelib
• sudo cp librefblas.a /usr/local/lib/libblas.a
• sudo cp libcblas.a /usr/local/lib/libcblas.a
• sudo cp liblapack.a /usr/local/lib/liblapack.a
• sudo cp liblapacke.a /usr/local/lib/liblapacke.a
• sudo cp libtmglib.a /usr/local/lib/libtmg.a
• In addition, we need to copy the header files as follows:
• Go into CBLAS/include directory.
• sudo cp cblas.h /usr/local/include/
• sudo cp cblas_mangling.h /usr/local/include/
• Go into LAPACKE/include directory.
• sudo cp lapack.h /usr/local/include/
• sudo cp lapacke.h /usr/local/include/
• sudo cp lapacke_mangling.h /usr/local/include/

Windows

Compilation in a similar way to that on Linux

• We suppose you have already installed Qt with mingw, under, say, C:\Qt
• If you have added C:\Qt\Tools\mingw1310_64\bin to the computer’s path, you should have an access to gfortran.exe under the former.
• Download lapack-3.12.1.tar.gz from http://www.netlib.org/lapack/, and extract.
• Go into lapack-3.12.1
• rename (or copy) makefile.inc.example to name.inc

   cp make.inc.example make.inc
  

• Compile libraries with:

   make blaslib cblaslib lapacklib tmglib lapackelib
  

• We suppose we put the required libraries in C:\lib for being referenced when we compile the opencore NMR software. Indeed, in nmr.pro (Qt project file), we set:

  win32: LIBS += -L"c:\lib" -llapack -llapacke -lrefblas -lcblas -lm -lgfortran
  

• Make directory c:\lib (if you have not), and copy the following files there (*.h files may be found under CBLAS\include and LAPACKE\include):
  • cblas.h
  • cblas_mangling.h (generated upon successful compilation of LAPACK)
  • lapack.h
  • lapacke.h
  • lapacke_mangling.h (generated upon successful compilation of LAPACK)
  • libcblas.a
  • liblapack.a
  • liblapacke.a
  • librefblas.a
  • libtmglib.a

An alternative way

• Instructions described here is so helpful!
• We assume MinGW has already been installed with gfortran option.
• Download and install CMAKE.
• Download the lapack source.
• Run CMAKE, specify the source and build path, and click configure.
• Check options, such as CMAKE_GNUtoMS, CBLAS, LAPACKE, LAPACKE_WITH_TMG.
• Click configure again, until items with red background disapper.
• Click generate.
• Using a terminal, like cmd, go into the build directory, and run c:\MinGW\bin\mingw32-make.exe
• Copy the relevant files to c:\lib (see above).

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