Hi all, Jamie here.
I'm happy to report that the CMake build system has full Windows support. It doesn't need Cygwin; you can use the MinGW compilers and a regular Windows console. You can build Serial, MPI, and OpenMP, and the python programs (other than pytraj). It can even generate Windows executable installers, for ease of distribution. I wrote a full documentation page on it here: http://ambermd.org/pmwiki/index.php/Main/CMake-On-Windows . You can't use configure_cmake since it's a shell script; you have to invoke CMake directly.
CMake should also support Cygwin fine, though I haven't gotten around to testing it.
I can confirm that both the Makefile and CMake build systems work fine on WSL. I use a Windows machine as my daily driver, and use WSL to test my build system in Linux whenever I make changes. It's a binary-compatible Ubuntu install and, other than a moderate speed penalty, works just like Ubuntu would. The only issue I can think of with it is a compatibility problem with Anaconda, which was fixed a while ago: https://github.com/ContinuumIO/anaconda-issues/issues/6424
Finally, just FYI, the CMake build system is a bit broken in RC1 because a merge commit right before the release reset the CMake submodule back to an earlier commit. The configure will work but you will probably get module errors in pmemd.gem.
Thanks,
Jamie
> -----Original Message-----
> From: Josh Berryman [mailto:the.real.josh.berryman.gmail.com]
> Sent: Tuesday, March 13, 2018 1:47 AM
> To: David A Case <david.case.rutgers.edu>; AMBER Developers Mailing List
> <amber-developers.ambermd.org>
> Cc: Ilyas Yildirim <iyildirim.fau.edu>
> Subject: Re: [AMBER-Developers] Amber18/AmberTools18 release candidate
> 1
>
> >>I'm thinking we may just disable the legacy cygwin build
>
> I can confirm that the OS-as-an-app ubuntu install for windows 10 actually
> works, although you need a separate install of an X server. I am using it for
> teaching purposes. Some kinks, but runs faster than cygwin (and installs
> *much* faster) to much the same effect.
>
> Haven't tried MPI yet.
> gcc, gnu make, python / scipy / numpy all work.
>
> With a separate X server some graphical applications work:
> (no for firefox and chromium, but yes for gedit and evince, haven't tried
> xleap).
>
> https://www.howtogeek.com/249966/how-to-install-and-use-the-linux-
> bash-shell-on-windows-10/
>
> Josh
>
>
>
> On 12 March 2018 at 17:00, David A Case <david.case.rutgers.edu> wrote:
>
> > On Mon, Mar 12, 2018, Ilyas Yildirim wrote:
> > >
> > > I have tried to compile the code in Windows 10/Cygwin.
> >
> > Thanks for your comments. I'm thinking we may just disable the legacy
> > cygwin build, although I'm open to counter-arguments from people that
> > find cygwin useful.
> >
> > I think(?) we have a working Windows build via cmake. You might try
> > this (probably in a fresh directory):
> >
> > cd amber18
> > ./configure_cmake --full-help
> >
> > and follow the instructions. There is a -windows flag that will build
> > amber without needing cygwin. (There is also a -cygwin flag, but
> > there is a "TODO" comment in the script that indicates it hasn't been
> > tested, and is unlikely to work.) I think this is our best shot at
> > having Windows capability in the upcoming release. [Caveat: I've not
> > tested these, and the whole cmake system will probably need to be marked
> as "experimental"
> > at release time.]
> >
> > >
> > >
> > > 1. The notes are still saying "amber 16" within at least the
> > > configure scripts. These should be changed to "amber 18".
> >
> > Should be fixed in the next RC.
> >
> > > 2. When one tries to compile the code using "./configure -cygwin
> > > --with-python /usr/bin/python gnu", cpptraj is being compiled using
> > > the following FLAGS: "LDFLAGS= -L/programs/amber18/lib -lnetcdf -lbz2
> > > -lz xdrfile/libxdrfile.a -static -lquadmath". This would not compile
> > > cpptraj except removing the "-static" option.
> >
> > Noted.
> >
> > > There is the WSL option of Windows 10, where one can
> > > have Ubuntu installed, but it is not as efficient as Cygwin as of
> > > now. It has some issues, which requires the developers of WSL to fix.
> >
> > Do you know what causes the inefficiencies, or what the issues are?
> > This path appeared to work for me a while ago (compiled OK and passed
> > the tests--I didn't run any benchmarks.) If it is not a good way to
> > go, we should update the web pages.
> >
> > > 4. The parallel installation yields errors in cpptraj:
> > >
> > > ./configure -cygwin -mpi --with-python /usr/bin/python gnu
> > >
> > >
> > > Configuring CPPTRAJ...
> > > CPPTRAJ configure failed. Check
> '/programs/amber18/AmberTools/src/cpptraj_config.log'
> > for details.
> > > Configure failed due to the errors above!
> > >
> > > Error: MPI not currently supported on Windows.
> > >
> > > I am not sure why cpptraj would not compile with -mpi, but if that
> > > is the case the rest of the code should still compile with the -mpi option.
> >
> > Agreed: the configure script itself needs to be told to skip cpptraj.
> >
> > ...thanks...dave
> >
> >
> > _______________________________________________
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> > AMBER-Developers.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber-developers
> >
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Received on Wed Mar 14 2018 - 22:00:02 PDT
