[task #15639] Building GROMACS in Maneage

[Mohammad Akhlaghi]

URL:
  <https://savannah.nongnu.org/task/?15639>

                 Summary: Building GROMACS in Maneage
                 Project: Reproducible paper template
            Submitted by: makhlaghi
            Submitted on: Wed 13 May 2020 03:39:39 PM BST
         Should Start On: Wed 13 May 2020 12:00:00 AM BST
   Should be Finished on: Wed 13 May 2020 12:00:00 AM BST
                Category: Software
                Priority: 5 - Normal
                  Status: Postponed
                 Privacy: Public
        Percent Complete: 0%
             Assigned to: None
             Open/Closed: Open
         Discussion Lock: Any
                  Effort: 0.00

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Details:

"GROMACS <http://www.gromacs.org/About_Gromacs> is a versatile package to
perform molecular dynamics, i.e. simulate the Newtonian equations of motion
for systems with hundreds to millions of particles." It is a commonly used
package in molecular dynamics simulations and has been proposed to be included
in Maneage by Yahya Sefidbakht.

Its installation instructions
<http://www.gromacs.org/Documentation_of_outdated_versions/Installation_Instructions_4.5>
are also available and fortunately it seems to only depend on FFTW, other than
that apparently it just needs a C compiler!

So it should be fairly easy to include it in the `high-level.mk' step. Surena,
do have time to try adding it to Maneage? 




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