LAPACK

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

Recently, we 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.

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.
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 lapacke.h /usr/local/include/
sudo cp lapacke_mangling.h /usr/local/include/

Windows

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

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