Author: qboosh Date: Sun Jul 23 18:42:27 2006 GMT Module: SPECS Tag: HEAD ---- Log message: - new
---- Files affected: SPECS: mpqc.spec (NONE -> 1.1) (NEW) ---- Diffs: ================================================================ Index: SPECS/mpqc.spec diff -u /dev/null SPECS/mpqc.spec:1.1 --- /dev/null Sun Jul 23 20:42:27 2006 +++ SPECS/mpqc.spec Sun Jul 23 20:42:22 2006 @@ -0,0 +1,154 @@ +# $Revision$, $Date$ +# TODO: +# - mpi support +# - inter-library linking (if possible at all - cross-dependencies?) +Summary: The Massively Parallel Quantum Chemistry Program +Summary(pl): Program do równoległych obliczeń z zakresu chemii kwantowej +Name: mpqc +Version: 2.3.1 +Release: 1 +License: LGPL/GPL (see LICENSE) +Group: Libraries +Source0: http://dl.sourceforge.net/mpqc/%{name}-%{version}.tar.bz2 +# Source0-md5: 2f9b4f7487387730d78066a53764f848 +URL: http://www.mpqc.org/ +# -lsB_BLAS ? +# cca-chem-config (http://www.cca-forum.org/~cca-chem/) +# niama-config ??? not found by google +# -lessl is preferred over -lblas? (then -lf77blas -latlas) +BuildRequires: blas-devel +BuildRequires: gcc-fortran +BuildRequires: lapack-devel +BuildRequires: libint-devel +BuildRequires: libstdc++-devel +BuildRequires: perl-base +# check: flex >= 2.5.31, bison >= 1.24 +BuildRoot: %{tmpdir}/%{name}-%{version}-root-%(id -u -n) + +%description +MPQC is the Massively Parallel Quantum Chemistry Program. It computes +properties of atoms and molecules from first principles using the time +independent Schroedinger equation. It runs on a wide range of +architectures ranging from individual workstations to symmetric +multiprocessors to massively parallel computers. Its design is object +oriented, using the C++ programming language. + +%description -l en +MPQC is the Massively Parallel Quantum Chemistry Program. It computes +properties of atoms and molecules from first principles using the time +independent Schrödinger equation. It runs on a wide range of +architectures ranging from individual workstations to symmetric +multiprocessors to massively parallel computers. Its design is object +oriented, using the C++ programming language. + +%description -l pl +MPQC (Massively Parallel Quantum Chemistry Program) to program do +równoległych obliczeń z zakresu chemii kwantowej. Oblicza właściwości +atomów i cząsteczek z pierwszych zasad przy użyciu niezależnego od +czasu równania Schrödingera. Działa na wielu architekturach od +osobistych stacji roboczych poprzez maszyny wieloprocesorowe SMP do +komputerów do obliczeń równoległych. Jest zaprojektowany w sposób +zorientowany obiektowo przy użyciu języka C++. + +%package devel +Summary: Header files for MPQC library +Summary(pl): Pliki nagłówkowe biblioteki MPQC +Group: Development/Libraries +Requires: %{name} = %{version}-%{release} +Requires: blas-devel +# XXX: should be libgfortran-devel +Requires: gcc-fortran +Requires: lapack-devel +Requires: libint-devel +Requires: libstdc++-devel + +%description devel +Header files for MPQC library. + +%description devel -l pl +Pliki nagłówkowe biblioteki MPQC. + +%package static +Summary: Static MPQC library +Summary(pl): Statyczna biblioteka MPQC +Group: Development/Libraries +Requires: %{name}-devel = %{version}-%{release} + +%description static +Static MPQC library. + +%description static -l pl +Statyczna biblioteka MPQC. + +%prep +%setup -q + +%build +%configure \ + --enable-shared \ + --with-cc-optflags="%{rpmcflags}" \ + --with-cxx-optflags="%{rpmcxxflags}" \ + --with-sc-includedir=%{_includedir}/mpqc +# --enable-components (requires cca-chem-config) +%{__make} + +%install +rm -rf $RPM_BUILD_ROOT + +%{__make} install install_devel \ + installroot=$RPM_BUILD_ROOT + +%clean +rm -rf $RPM_BUILD_ROOT + +%post -p /sbin/ldconfig +%postun -p /sbin/ldconfig + +%files +%defattr(644,root,root,755) +%doc CHANGES CITATION LICENSE README +%attr(755,root,root) %{_bindir}/ccarun +%attr(755,root,root) %{_bindir}/chkmpqcout +%attr(755,root,root) %{_bindir}/molrender +%attr(755,root,root) %{_bindir}/mpqc +%attr(755,root,root) %{_bindir}/mpqcrun +%attr(755,root,root) %{_bindir}/scls +%attr(755,root,root) %{_bindir}/scpr +%attr(755,root,root) %{_bindir}/tkmolrender +%attr(755,root,root) %{_libdir}/libSC*.so.*.*.* +%attr(755,root,root) %{_libdir}/libmpqc.so.*.*.* +%dir %{_datadir}/%{name} +%dir %{_datadir}/%{name}/%{version} +%{_datadir}/%{name}/%{version}/basis +%{_datadir}/%{name}/%{version}/elisp +%{_datadir}/%{name}/%{version}/perl +%attr(755,root,root) %{_datadir}/%{name}/%{version}/ccarunproc +%attr(755,root,root) %{_datadir}/%{name}/%{version}/mpqcrunproc +%{_datadir}/%{name}/%{version}/atominfo.kv +# XXX: add to system file database? +%{_datadir}/%{name}/%{version}/magic + +%files devel +%defattr(644,root,root,755) +%attr(755,root,root) %{_bindir}/sc-config +%attr(755,root,root) %{_bindir}/sc-libtool +%attr(755,root,root) %{_bindir}/sc-mkf77sym +%attr(755,root,root) %{_libdir}/libSC*.so +%attr(755,root,root) %{_libdir}/libmpqc.so +%{_libdir}/libSC*.la +%{_libdir}/libmpqc.la +%{_includedir}/mpqc + +%files static +%defattr(644,root,root,755) +%{_libdir}/libSC*.a +%{_libdir}/libmpqc.a + +%define date %(echo `LC_ALL="C" date +"%a %b %d %Y"`) +%changelog +* %{date} PLD Team <[EMAIL PROTECTED]> +All persons listed below can be reached at <cvs_login>@pld-linux.org + +$Log$ +Revision 1.1 2006/07/23 18:42:22 qboosh +- new ================================================================ _______________________________________________ pld-cvs-commit mailing list [email protected] http://lists.pld-linux.org/mailman/listinfo/pld-cvs-commit
