elpa/elpa.spec

%{!?_pkgdocdir:%global _pkgdocdir %{_docdir}/%{name}}

Summary: High-performance library for parallel solution of eigenvalue problems
Name: elpa
Version: 2015.02.002
Release: 6%{?dist}
URL: http://elpa.rzg.mpg.de/
Source0: http://elpa.rzg.mpg.de/elpa-%{version}.tar.gz
# fix pkgconfig file
# use all CPUs for testsuite
# don't add -mavx to CFLAGS if it doesn't work (i.e. on arm)
Patch1: elpa-rpm.patch
# build against atlas instead of reference blas
Patch2: elpa-atlas.patch
# don't use AVX instructions in test binaries
Patch3: elpa-no-avx.patch
License: LGPLv3+
BuildRequires: atlas-devel
BuildRequires: gcc-gfortran
BuildRequires: libtool
%ifnarch aarch64 ppc64le
BuildRequires: /usr/bin/execstack
%endif

%description
ELPA is a Fortran-based high-performance computational library for the
(massively) parallel solution of symmetric or Hermitian, standard or generalized
eigenvalue problems.

This is the kind of eigenvalue problem which is frequently encountered in
Electronic Structure Theory (solution of Schrödinger's Equation or variants
thereof), but also in many other fields. Typically, the solution effort scales
as O(size^3), where "size" is a measure of the system size, for example the
dimension of the associated matrices or the number of required
eigenvalue/eigenvector pairs (less than or equal to the matrix dimension). Thus,
an algebraically exact solution of the eigenproblem may quickly become the
bottleneck in a practical application.

%package common
Summary: Common files for ELPA
BuildArch: noarch

%description common
ELPA is a Fortran-based high-performance computational library for the
(massively) parallel solution of symmetric or Hermitian, standard or generalized
eigenvalue problems.

This package contains common files for ELPA.

%package devel
Summary: C header files for ELPA
BuildArch: noarch
Requires: %{name}-mpi-devel = %{version}-%{release}

%description devel
ELPA is a Fortran-based high-performance computational library for the
(massively) parallel solution of symmetric or Hermitian, standard or generalized
eigenvalue problems.

This package contains the C header files for ELPA.

%package mpich
Summary: Fast library for parallel solution of eigenvalue problems (MPICH version)
BuildRequires: mpich-devel
BuildRequires: blacs-mpich-devel
BuildRequires: scalapack-mpich-devel
Requires: blacs-mpich
Requires: scalapack-mpich
Requires: %{name}-common = %{version}-%{release}

%description mpich
ELPA is a Fortran-based high-performance computational library for the
(massively) parallel solution of symmetric or Hermitian, standard or generalized
eigenvalue problems.

This package contains ELPA built against MPICH.

%package mpich-devel
Summary: Development files for ELPA (MPICH version)
Requires: %{name}-mpich%{?_isa} = %{version}-%{release}
Requires: gcc-gfortran%{?_isa}
Requires: %{name}-devel = %{version}-%{release}
Provides: %{name}-mpi-devel = %{version}-%{release}

%description mpich-devel
ELPA is a Fortran-based high-performance computational library for the
(massively) parallel solution of symmetric or Hermitian, standard or generalized
eigenvalue problems.

This package contains the development files for ELPA (MPICH version).

%package openmpi
Summary: Fast library for parallel solution of eigenvalue problems (OpenMPI version)
# required for running the testsuite
BuildRequires: rsh
BuildRequires: openmpi-devel
BuildRequires: blacs-openmpi-devel
BuildRequires: scalapack-openmpi-devel
Requires: blacs-openmpi
Requires: scalapack-openmpi
Requires: %{name}-common = %{version}-%{release}

%description openmpi
ELPA is a Fortran-based high-performance computational library for the
(massively) parallel solution of symmetric or Hermitian, standard or generalized
eigenvalue problems.

This package contains ELPA built against OpenMPI.

%package openmpi-devel
Summary: Development files for ELPA (OpenMPI version)
Requires: %{name}-openmpi%{?_isa} = %{version}-%{release}
Requires: gcc-gfortran%{?_isa}
Requires: %{name}-devel = %{version}-%{release}
Provides: %{name}-mpi-devel = %{version}-%{release}

%description openmpi-devel
ELPA is a Fortran-based high-performance computational library for the
(massively) parallel solution of symmetric or Hermitian, standard or generalized
eigenvalue problems.

This package contains the development files for ELPA (OpenMPI version).

%prep
%setup -q -c -T -a 0
mv elpa-%{version} mpich
pushd mpich
%patch1 -p1 -b .r
%patch2 -p1 -b .atlas
%patch3 -p1 -b .avx
autoreconf -vifs
popd
cp -pr mpich openmpi
mkdir _openmp
cp -pr mpich openmpi _openmp/

%build
export FCFLAGS=-ffree-line-length-none

%{_mpich_load}
export LDFLAGS="-L%{_libdir}/atlas -L$MPI_LIB"
pushd mpich
%configure --disable-silent-rules --disable-static \
 --libdir=%{_libdir}/mpich%{?_opt_cc_suffix}/lib

make %{?_smp_mflags} V=1
popd

pushd _openmp/mpich
%configure --disable-silent-rules --disable-static \
 --with-openmp \
 --libdir=%{_libdir}/mpich%{?_opt_cc_suffix}/lib

make %{?_smp_mflags} V=1
popd
%{_mpich_unload}

%{_openmpi_load}
export LDFLAGS="-L%{_libdir}/atlas -L$MPI_LIB"
pushd openmpi
%configure --disable-silent-rules --disable-static \
 --libdir=%{_libdir}/openmpi%{?_opt_cc_suffix}/lib

make %{?_smp_mflags} V=1
popd

pushd _openmp/openmpi
%configure --disable-silent-rules --disable-static \
 --with-openmp \
 --libdir=%{_libdir}/openmpi%{?_opt_cc_suffix}/lib

make %{?_smp_mflags} V=1
popd
%{_openmpi_unload}

%install
for s in '' _openmp ; do
  for mpi in mpich openmpi ; do
    pushd ${s:-.}/${mpi}
    make DESTDIR=%{buildroot} install
    rm %{buildroot}%{_bindir}/elpa?_test_*
    mkdir -p %{buildroot}%{_libdir}/${mpi}%{?_opt_cc_suffix}/bin
    mv %{buildroot}%{_bindir}/elpa2_print_kernels${s} %{buildroot}%{_libdir}/${mpi}%{?_opt_cc_suffix}/bin/
    %ifnarch aarch64 ppc64le
    execstack -c .libs/libelpa${s}.so.?.* %{buildroot}%{_libdir}/${mpi}%{?_opt_cc_suffix}/lib/libelpa${s}.so.?.*
    %endif
    mkdir -p %{buildroot}%{_fmoddir}/${mpi}%{?_opt_cc_suffix}
    for f in $(ls -1 %{buildroot}%{_includedir}/elpa${s}-%{version}/modules/*.mod) ; do
      m=$(basename ${f} .mod)
      mv %{buildroot}%{_includedir}/elpa${s}-%{version}/modules/${m}.mod %{buildroot}%{_fmoddir}/${mpi}%{?_cc_name_suffix}/${m}${s}.mod
    done
    rm %{buildroot}%{_libdir}/${mpi}%{?_opt_cc_suffix}/lib/libelpa${s}.la
# fix-up fcflags include path per mpi implementation
    sed -i -e "/^fcflags.*modules/s,/modules,/modules/${mpi}," %{buildroot}%{_libdir}/${mpi}/lib/pkgconfig/elpa${s}-%{version}.pc
    popd
  done
done

%if 1
%check
%{_mpich_load}
pushd mpich
make check V=1 || cat ./test-suite.log
popd
pushd _openmp/mpich
make check V=1 || cat ./test-suite.log
popd
%{_mpich_unload}

# only non-mt openmpi build can be tested, see bug #1105902
%{_openmpi_load}
pushd openmpi
make check V=1 || cat ./test-suite.log
popd
%{_openmpi_unload}
%endif

%post mpich -p /sbin/ldconfig

%postun mpich -p /sbin/ldconfig

%post openmpi -p /sbin/ldconfig

%postun openmpi -p /sbin/ldconfig

%files common
%license %{_pkgdocdir}/COPYING
%license %{_pkgdocdir}/gpl.txt
%license %{_pkgdocdir}/lgpl.txt
%{_pkgdocdir}/README

%files devel
%{_includedir}/elpa-%{version}
%{_includedir}/elpa_openmp-%{version}
%{_pkgdocdir}/examples

%files mpich
%{_libdir}/mpich%{?_opt_cc_suffix}/bin/elpa2_print_kernels
%{_libdir}/mpich%{?_opt_cc_suffix}/bin/elpa2_print_kernels_openmp
%{_libdir}/mpich%{?_opt_cc_suffix}/lib/libelpa.so.3*
%{_libdir}/mpich%{?_opt_cc_suffix}/lib/libelpa_openmp.so.3*

%files mpich-devel
%{_libdir}/mpich%{?_opt_cc_suffix}/lib/libelpa.so
%{_libdir}/mpich%{?_opt_cc_suffix}/lib/libelpa_openmp.so
%{_libdir}/mpich%{?_opt_cc_suffix}/lib/pkgconfig/elpa-%{version}.pc
%{_libdir}/mpich%{?_opt_cc_suffix}/lib/pkgconfig/elpa_openmp-%{version}.pc
%{_fmoddir}/mpich%{?_cc_name_suffix}/*.mod

# only non-mt openmpi build, see bug #1105902
%files openmpi
%{_libdir}/openmpi%{?_opt_cc_suffix}/bin/elpa2_print_kernels
%exclude %{_libdir}/openmpi%{?_opt_cc_suffix}/bin/elpa2_print_kernels_openmp
%{_libdir}/openmpi%{?_opt_cc_suffix}/lib/libelpa.so.3*
%exclude %{_libdir}/openmpi%{?_opt_cc_suffix}/lib/libelpa_openmp.so.3*

%files openmpi-devel
%{_libdir}/openmpi%{?_opt_cc_suffix}/lib/libelpa.so
%exclude %{_libdir}/openmpi%{?_opt_cc_suffix}/lib/libelpa_openmp.so
%{_libdir}/openmpi%{?_opt_cc_suffix}/lib/pkgconfig/elpa-%{version}.pc
%exclude %{_libdir}/openmpi%{?_opt_cc_suffix}/lib/pkgconfig/elpa_openmp-%{version}.pc
%{_fmoddir}/openmpi%{?_cc_name_suffix}/*.mod
%exclude %{_fmoddir}/openmpi%{?_cc_name_suffix}/*_openmp.mod

%changelog
* Tue Aug 04 2015 Zbigniew Jędrzejewski-Szmek <zbyszek@in.waw.pl> - 2015.02.002-6
- Use new execstack (#1247795)

* Wed Jun 17 2015 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 2015.02.002-5
- Rebuilt for https://fedoraproject.org/wiki/Fedora_23_Mass_Rebuild

* Mon May 04 2015 Dominik Mierzejewski <rpm@greysector.net> 2015.02.002-4
- fix build on EPEL7 (missing _pkgdocdir macro and BR: rsh for openmpi)
- move examples to -devel subpackage
- print whole testsuite log in case of test failure
- re-enable openmpi tests on i686 and armv7hl

* Sat May 02 2015 Kalev Lember <kalevlember@gmail.com> - 2015.02.002-3
- Rebuilt for GCC 5 C++11 ABI change

* Mon Mar 23 2015 Zbigniew Jędrzejewski-Szmek <zbyszek@in.waw.pl> - 2015.02.002-2
- Rebuild for fortran update (#1204420)

* Thu Mar 19 2015 Dominik Mierzejewski <rpm@greysector.net> 2015.02.002-1
- update to 2015.02.002 release (ABI change)
- drop libtool bug workaround
- make builds more verbose
- take advantage of upstream build system improvements
- ship C headers in -devel subpackage

* Mon Mar 16 2015 Thomas Spura <tomspur@fedoraproject.org> - 2013.11-6.008
- Rebuild for changed mpich libraries

* Tue Sep 16 2014 Dominik Mierzejewski <rpm@greysector.net> 2013.11-5.008
- fix release string broken by previous bump by releng script
- disable openmpi tests on armv7hl (bug #1144408)

* Sat Aug 16 2014 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 2013.11-4.9
- Rebuilt for https://fedoraproject.org/wiki/Fedora_21_22_Mass_Rebuild

* Thu Jul  3 2014 Peter Robinson <pbrobinson@fedoraproject.org> 2013.11-4.008
- aarch64/ppc64le don't have prelink

* Sun Jun 29 2014 Dominik Mierzejewski <rpm@greysector.net> 2013.11-3.008
- fix typo in execstack -c call
- link against atlas

* Thu Jun 26 2014 Dominik Mierzejewski <rpm@greysector.net> 2013.11-2.008
- remove executable stack from installed libraries
- fix undefined non-weak mpi symbols
- reorder build section and drop some redundant parts
- add missing gfortran Requires for -devel subpackages
- use correct URL and provide link to source tarball

* Tue Jun 24 2014 Dominik Mierzejewski <rpm@greysector.net> 2013.11-1.008
- initial build