[gmx-users] resolution of cygwin installation issues

Acoot Brett acootbrett at yahoo.com
Wed Mar 21 08:44:49 CET 2012

Hi Mark,
What would be the difference between the shared lib and static lib?

 From: Mark Abraham <Mark.Abraham at anu.edu.au>
To: Discussion list for GROMACS users <gmx-users at gromacs.org> 
Sent: Wednesday, 21 March 2012 2:38 PM
Subject: [gmx-users] resolution of cygwin installation issues

After all the recent trouble with people attempting to install on Cygwin with autoconf, I went and tried it myself. I knew GROMACS 4.5.5 built with CMake on Cygwin.

It turns out the default installation of FFTW uses static libraries, and with the default configuration of GROMACS the linker has trouble with that. In the very long make output of GROMACS it warns

*** Warning: This system can not link to static lib archive /usr/local/lib/libfftw3f.la.
*** I have the capability to make that library automatically link in when
*** you link to this library.  But I can only do this if you have a
*** shared version of the library, which you do not appear to have.

before going on to report failure to link to a bunch of symbols in the FFTW library. If those who'd been having trouble had reported this, then they'd have had a quicker solution :)

With default FFTW installed in the default location (/usr/local, configured with "./configure --enable-sse --enable-float"), I succeeded in building GROMACS on a new installation of Cygwin with

./configure --disable-threads CPPFLAGS=-I/usr/local/include LDFLAGS=-L/usr/local/lib --enable-all-static --without-xml

I experimented a bit with trying to get shared libraries to work, but didn't succeed. Too bad. I have updated http://www.gromacs.org/Documentation/Installation_Instructions/Cygwin_HOWTO. Hope this is useful.


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