# Copyright (c) 2019  Dave Love, University of Manchester
# MIT licence, per Fedora policy.

%global vminidft 1.1.1

%global snapcommit 9914e82aabd39b2c1e47c48ea719c848970decde
%global snapsc %(c=%snapcommit; echo ${c:0:7})
%global mdcommit ce5e74c2560c86742cdb74153580ecad7f7dd3ba
%global mdsc %(c=%mdcommit; echo ${c:0:7})


Name:		benchmark-mini-apps
Version:	1
Release:	1%{?dist}
Summary:	Mini/proxy applications for benchmarking
License:	GPLv2 and LGPLv2+ and BSD
Source0:	https://github.com/NERSC/MiniDFT/archive/MiniDFT-%vminidft.tar.gz
Source1:	minidft-makefile
Source2:	https://asc.llnl.gov/coral-2-benchmarks/downloads/nekbone_2_3_5.tgz
Source3:	https://github.com/lanl/SNAP/archive/%snapcommit/SNAP-%snapsc.tar.gz
Source4:	https://github.com/Mantevo/miniMD/archive/%mdcommit/miniMD-%mdsc.tar.gz
#BuildRequires:	%{?el7:devtoolset-6-}gcc-gfortran
BuildRequires:	gcc-gfortran
BuildRequires:	openmpi-devel openblas-devel fftw-devel
BuildRequires:	scalapack-openmpi-devel

%global desc \
A collection of various mini/proxy applications for benchmarking.\
Relevant URLS: https://www.nersc.gov/users/computational-systems/cori/nersc-8-procurement/trinity-nersc-8-rfp/nersc-8-trinity-benchmarks/ \
https://portal.nersc.gov/project/CAL/designforward.htm \
https://github.com/NERSC/MiniDFT 

%description
%desc

%package openmpi
Summary:        Mini/proxy applications for benchmarking - openmpi
Requires:	openmpi%{?_isa} scalapack-openmpi%{?_isa}

%description openmpi
%desc
This is the openmpi version.

%prep
%setup -q -c
tar fx %SOURCE0
tar fx %SOURCE3
tar fx %SOURCE4
cp miniMD-*/ref/LICENSE LICENSE.miniMD
cp MiniDFT-MiniDFT-1.1.1/License License.MiniDFT
cp SNAP*/README.md README.SNAP
cp miniMD-*/README.md README.miniMD


%build
#. /opt/rh/devtoolset-6/enable
%_openmpi_load
cd MiniDFT-MiniDFT-%vminidft
# Not smp-safe
LDFLAGS=%{?build_ldflags} FFLAGS='%{?build_fflags} -O3 -ffast-math'
  make -C src -f %SOURCE1
cd -
cd SNAP*
%make_build -C src FFLAGS='-O3 -funroll-loops -ffast-math -g -fno-backtrace -rdynamic' FFLAG2=-fopenmp
cd -
%make_build -C miniMD-%mdcommit/ref openmpi AVX=no


%install
%_openmpi_load
install -D -m755 MiniDFT-MiniDFT-1.1.1/src/mini_dft %buildroot$MPI_BIN/mini_dft
install -D -m755 miniMD-*/ref/miniMD_openmpi %buildroot$MPI_BIN/miniMD
install -D -m755 SNAP-*/src/gsnap %buildroot$MPI_BIN/gsnap

%files openmpi
%license LICENSE.miniMD License.MiniDFT
%doc README.SNAP MiniDFT-MiniDFT-1.1.1/README.APEX README.miniMD
%_libdir/openmpi/bin/mini_dft
%_libdir/openmpi/bin/miniMD
%_libdir/openmpi/bin/gsnap


%changelog
* Thu May 16 2019 Dave Love <loveshack@fedoraproject.org> - 1-1
- Add miniMD, SNAP

* Fri Apr 12 2019 Dave Love <loveshack@fedoraproject.org> - 1-1
- Initial packaging (just MiniDFT)