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Commit | Line | Data |
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f72f3732 | 1 | Summary: General-purpose molecular dynamics simulation program |
6339fcb7 | 2 | Summary(pl.UTF-8): Program ogólnego stosowania do symulacji z dynamiki molekularnej |
f72f3732 | 3 | Name: Moldy |
4 | Version: 3.4 | |
5 | Release: 1 | |
6 | License: GPL | |
bf0058ac | 7 | Group: Applications |
f72f3732 | 8 | Source0: http://www.earth.ox.ac.uk/~keith/download/Development/%{name}-%{version}.tar.gz |
9 | # Source0-md5: 21d2c2920a80283f9751a4513ea27ef5 | |
bf0058ac JB |
10 | BuildRequires: autoconf |
11 | BuildRequires: automake | |
f72f3732 | 12 | BuildRoot: %{tmpdir}/%{name}-%{version}-root-%(id -u -n) |
13 | ||
14 | %description | |
15 | Moldy is a general-purpose molecular dynamics simulation program | |
16 | written initially for Author's own research into aqueous solutions at | |
17 | mineral surfaces. However it is sufficiently flexible that it ought | |
18 | to be useful for a wide range of simulation calculations of atomic, | |
19 | ionic and molecular systems. | |
20 | ||
6339fcb7 JR |
21 | %description -l pl.UTF-8 |
22 | Moldy to ogólnego zastosowania program do symulacji dynamiki | |
23 | molekularnej napisany początkowo przez autora we własnych celach | |
24 | badawczych związanych z roztworami wodnymi na powierzchniach | |
25 | mineralnych. Mimo to jest wystarczająco elastyczny, aby być przydatny | |
26 | dla szerokiego zakresu symulacji obliczeń układów atomowych, jonowych | |
27 | i cząsteczkowych. | |
f72f3732 | 28 | |
29 | %prep | |
30 | %setup -q | |
31 | ||
32 | %build | |
f72f3732 | 33 | %{__aclocal} |
34 | %{__autoheader} | |
35 | %{__autoconf} | |
36 | %{__automake} | |
bf0058ac JB |
37 | %configure |
38 | # replace "-mcpu=pentium" used for i586 | |
39 | %{__make} \ | |
40 | OPT="-malign-double -ffast-math" \ | |
41 | OPT="-malign-double -ffast-math" \ | |
42 | OPTAUX="-malign-double -ffast-math -funroll-loops" | |
f72f3732 | 43 | |
44 | %install | |
45 | rm -rf $RPM_BUILD_ROOT | |
46 | ||
47 | %{__make} install \ | |
48 | DESTDIR=$RPM_BUILD_ROOT | |
49 | ||
50 | %clean | |
51 | rm -rf $RPM_BUILD_ROOT | |
52 | ||
53 | %files | |
54 | %defattr(644,root,root,755) | |
55 | %doc TODO README AUTHORS NEWS | |
56 | %attr(755,root,root) %{_bindir}/* |