%global git 0
#global snapshot 20230905
%global commit 4d60929fea25d66ef58ab66eaced315242d8c029
%global shortcommit %(c=%{commit}; echo ${c:0:7})

%bcond_without check

# Currently does not build with opencl/libxsmm
%bcond_with opencl

Name: dbcsr
# SONAME is based on major.minor version
%global sover 2.6
Version: %{sover}.0
Release: 1%{?dist}
Summary: Distributed Block Compressed Sparse Row matrix library
License: GPL-2.0-or-later
URL: https://cp2k.github.io/dbcsr/develop/
%if %{git}
Source0: https://github.com/cp2k/dbcsr/archive/%{commit}/dbcsr-%{shortcommit}.tar.gz
%else
Source0: https://github.com/cp2k/dbcsr/releases/download/v%{version}/dbcsr-%{version}.tar.gz
%endif
# Fedora patches
# patch to:
# use rpm optflags
# link with flexiblas instead of vanilla blas/lapack
# build with libint and libxc
# build shared libraries
# Honor FFLAGS
# https://github.com/cp2k/dbcsr/pull/700
Patch: dbcsr-flags.patch
# Allow install into _fmoddir
# https://github.com/cp2k/dbcsr/pull/701
Patch: dbcsr-fmoddir.patch
BuildRequires: cmake
BuildRequires: gcc-c++
BuildRequires: gcc-gfortran
BuildRequires: make
BuildRequires: flexiblas-devel
%if %{with opencl}
BuildRequires: libxsmm-devel
%endif
BuildRequires: python3-fypp

%global dbcsr_desc_base \
DBCSR stands for Distributed Blocked Compressed Sparse Row.\
\
DBCSR is a library designed to efficiently perform sparse matrix-matrix\
multiplication, among other operations.  It is MPI and OpenMP parallel and\
can exploit Nvidia and AMD GPUs via CUDA and HIP.


%description
%{dbcsr_desc_base}

This package contains the non-MPI single process and multi-threaded versions.

%package devel
Summary: Development files for %{name}
Requires: %{name}%{?_isa} = %{version}-%{release}
Requires: gcc-gfortran%{_isa}

%description devel
The %{name}-devel package contains libraries and header files for
developing applications that use %{name}.

%global mpi_list openmpi mpich

%package openmpi
Summary: DBCSR - openmpi version
BuildRequires:  openmpi-devel

%description openmpi
%{dbcsr_desc_base}

This package contains the parallel single- and multi-threaded versions
using OpenMPI.

%package openmpi-devel
Summary: Development files for %{name}-openmpi
Requires: %{name}-openmpi%{?_isa} = %{version}-%{release}

%description openmpi-devel
The %{name}-openmpi-devel package contains libraries and header files for
developing applications that use %{name}-openmpi.

%package mpich
Summary: DBCSR - mpich version
BuildRequires:  mpich-devel

%description mpich
%{dbcsr_desc_base}

This package contains the parallel single- and multi-threaded versions
using mpich.

%package mpich-devel
Summary: Development files for %{name}-mpich
Requires: %{name}-mpich%{?_isa} = %{version}-%{release}

%description mpich-devel
The %{name}-mpich-devel package contains libraries and header files for
developing applications that use %{name}-mpich.


%prep
%if %{git}
%autosetup -p1 -n %{name}-%{commit}
echo git:%{shortcommit} > REVISION
%else
%autosetup -p1
%endif
# Use cmake's version so it can find flexiblas
rm cmake/Find{BLAS,LAPACK}.cmake
# Use system fypp, other tools not needed
rm -r tools


# $mpi will be evaluated in the loops below
%global _vpath_builddir %{_vendor}-%{_target_os}-build-${mpi:-serial}

%build
export CFLAGS="%{optflags} -fPIC"
export CXXFLAGS="%{optflags} -fPIC"
export FFLAGS="%{optflags} -fPIC"
%cmake -DCMAKE_INSTALL_Fortran_MODULES=%{_fmoddir} -DUSE_MPI=OFF %{?with_opencl:-DUSE_ACCEL=opencl -DUSE_SMM=libxsmm}
%cmake_build
for mpi in %{mpi_list}
do
  module load mpi/$mpi-%{_arch}
  [ $mpi = "mpich" ] && CMAKE_OPTS=-DUSE_MPI_F08=ON || CMAKE_OPTS=
  %cmake -DCMAKE_INSTALL_Fortran_MODULES=$MPI_FORTRAN_MOD_DIR %{?with_opencl:-DUSE_ACCEL=opencl -DUSE_SMM=libxsmm} $CMAKE_OPTS \
   -DCMAKE_INSTALL_PREFIX:PATH=$MPI_HOME \
   -DCMAKE_INSTALL_LIBDIR:PATH=$MPI_LIB
  %cmake_build
  module purge
done


%install
%cmake_install
for mpi in %{mpi_list}
do
  module load mpi/$mpi-%{_arch}
  %cmake_install
  module purge
done


%if %{with check}
%check
%ctest
for mpi in %{mpi_list}
do
  module load mpi/$mpi-%{_arch}
  fail=
  # mpich tests fail on s390x - reported https://github.com/cp2k/dbcsr/issues/703
  [ $mpi = mpich -a %{_arch} = s390x ] && fail=no
  %ctest || test $fail
  module purge
done
%endif


%files
%license LICENSE
%doc README.md
%{_libdir}/libdbcsr.so.%{sover}*

%files devel
%{_fmoddir}/dbcsr_api.mod
%{_fmoddir}/dbcsr_tensor_api.mod
%{_libdir}/cmake/dbcsr/
%{_libdir}/libdbcsr.so

%files openmpi
%license LICENSE
%doc README.md
%{_libdir}/openmpi/lib/libdbcsr.so.%{sover}*
%{_libdir}/openmpi/lib/libdbcsr_c.so.%{sover}*

%files openmpi-devel
%{_libdir}/openmpi/include/dbcsr.h
%{_libdir}/openmpi/include/dbcsr_tensor.h
%{_fmoddir}/openmpi/dbcsr_api.mod
%{_fmoddir}/openmpi/dbcsr_tensor_api.mod
%{_libdir}/openmpi/lib/cmake/dbcsr/
%{_libdir}/openmpi/lib/libdbcsr.so
%{_libdir}/openmpi/lib/libdbcsr_c.so

%files mpich
%license LICENSE
%doc README.md
%{_libdir}/mpich/lib/libdbcsr.so.%{sover}*
%{_libdir}/mpich/lib/libdbcsr_c.so.%{sover}*

%files mpich-devel
%{_libdir}/mpich/include/dbcsr.h
%{_libdir}/mpich/include/dbcsr_tensor.h
%{_fmoddir}/mpich/dbcsr_api.mod
%{_fmoddir}/mpich/dbcsr_tensor_api.mod
%{_libdir}/mpich/lib/cmake/dbcsr/
%{_libdir}/mpich/lib/libdbcsr.so
%{_libdir}/mpich/lib/libdbcsr_c.so

%changelog
* Sun Sep 10 2023 Orion Poplawski <orion@nwra.com> - 2.6.0-1
- Initial package