projects / packages / Moldy.git / blame
| Commit | Line | Data |
|---|---|---|
| f72f3732 | 1 | Summary: General-purpose molecular dynamics simulation program |
| e601fc21 | 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}/* |