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File mead.spec of Package mead (Revision 591d028c477f6ea645295894e6b7ed4b)

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Name:           mead
License:        GPL
Group:          Productivity/Scientific/Chemistry
AutoReqProv:    on
Summary:        Macroscopic Electrostatics with Atomic Detail 
Version:        2.2.8a
Release:        0
BuildRequires:  gcc-c++
Source0:        http://ftp.stjude.org/pub/software/%{name}-%{version}.tar.gz
Patch1:         1-destdir.patch
Patch2:         2-c-warn.patch
BuildRoot:      %{_tmppath}/%{name}-%{version}-build

%description
    MEAD: Macroscopic Electrostatics with Atomic Detail
    A software suite for electrostatic calculations on biological
    macromolecules.

Summary
    MEAD is a set of software objects for the purpose of modeling the
    electrostatics of molecules using a semi-macroscopic picture in
    which the solvent and the molecular interior have different
    dielectric constants, the boundary between the different
    dielectric regions is dependent on the detailed atomic structure
    of the molecule, and the electrostatic potential is determined by
    the Poisson-Boltzmann equation.  This version of MEAD includes
    modeling of a membrane as a low dielectric slab, possibly with a
    water-filled channel through a protein in the membrane.

MEAD is written in C++, which is a significant departure from most
    molecular software, which is more commonly written in Fortran or
    (recently) C.  My purpose in choosing C++ was to explore the
    object-oriented programming style that C++ facilitates and to make
    a software system that other people could borrow pieces from and
    make extensions to in a convenient way.

MEAD is free software.  You can redistribute it and/or modify it
    under the terms of the GNU General Public License as published by
    the Free Software Foundation; either version 1, or (at your
    option) any later version.  For more details, see the README,
    INSTALLATION and COPYING files inside the distribution.  If you
    use MEAD in a scientific publication, please cite the papers,
    Bashford92 and ISCOPE97.

Authors:
--------
        Donald Bashford
        don.bashford@stjude.org

Hartwell Center
        Saint Jude Children's Research Hospital
        Memphis, TN

%package devel
Summary:        Macroscopic Electrostatics with Atomic Detail 
Group:          Development/Libraries/C and C++

%description
    MEAD: Macroscopic Electrostatics with Atomic Detail
    A software suite for electrostatic calculations on biological
    macromolecules.

%description devel
    MEAD: Macroscopic Electrostatics with Atomic Detail
    A software suite for electrostatic calculations on biological
    macromolecules.

This package contains header files and a library.

Authors:
--------
        Donald Bashford
        don.bashford@stjude.org

Hartwell Center
        Saint Jude Children's Research Hospital
        Memphis, TN

%prep
%setup -q 
%patch1 -p1 
%patch2 -p1

%build
%configure
%{__make} %{?jobs:-j %jobs}

%install
%makeinstall

%clean
rm -rf $RPM_BUILD_ROOT

%files 
%defattr(-,root,root)
%{_bindir}/mulsidecomp
%{_bindir}/multiflex
%{_bindir}/pair_interactions
%{_bindir}/potential
%{_bindir}/potscan
%{_bindir}/redti
%{_bindir}/sav-driver
%{_bindir}/solinprot
%{_bindir}/solvate

%files devel
%defattr(0644,root,root)
%dir %attr(0755,root,root) %{_includedir}/MEAD
%{_includedir}/MEAD/*
%{_libdir}/lib%{name}.a

%changelog

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File mead.spec of Package mead (Revision 591d028c477f6ea645295894e6b7ed4b)

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