%global git 0 %global snapshot 20210528 %global commit f848ba0b7a55a5943658d43e9dc204f6f1beee25 %global shortcommit %(c=%{commit}; echo ${c:0:7}) %global dbcsr_commit 46cd0928465ee6bf21d82e5aac0a1970dcb54501 %global dbcsr_shortcommit %(c=%{dbcsr_commit}; echo ${c:0:7}) %global dbcsr_version 2.2.0 # TODO OpenCL support: -D__ACC -D__DBCSR_ACC -D__OPENCL %global __provides_exclude_from ^%{_libdir}/(cp2k/lib|(mpich|openmpi)/lib/cp2k).*\\.so$ %global __requires_exclude ^lib(cp2k|clsmm|dbcsr|micsmm).*\\.so.*$ %bcond_with check Name: cp2k Version: 9.1 Release: 4%{?dist} Summary: Ab Initio Molecular Dynamics License: GPLv2+ URL: http://cp2k.org/ %if %{git} Source0: https://github.com/cp2k/cp2k/archive/%{commit}/%{name}-%{shortcommit}.tar.gz Source1: https://github.com/cp2k/dbcsr/archive/%{dbcsr_commit}/dbcsr-%{dbcsr_shortcommit}.tar.gz %else Source0: https://github.com/cp2k/cp2k/releases/download/v%{version}.0/cp2k-%{version}.tar.bz2 %endif Source4: cp2k-snapshot.sh # Fedora patches # patch to: # use rpm optflags # link with flexiblas instead of vanilla blas/lapack # build with libint and libxc # build shared libraries Patch10: %{name}-rpm.patch BuildRequires: flexiblas-devel # for regtests BuildRequires: bc BuildRequires: fftw-devel BuildRequires: gcc-c++ BuildRequires: gcc-gfortran BuildRequires: glibc-langpack-en BuildRequires: libint2-devel BuildRequires: libxc-devel >= 5.1.0 %ifarch x86_64 # See https://bugzilla.redhat.com/show_bug.cgi?id=1515404 BuildRequires: libxsmm-devel >= 1.8.1-3 %endif BuildRequires: python3-fypp BuildRequires: spglib-devel BuildRequires: /usr/bin/hostname BuildRequires: /usr/bin/pathfix.py Provides: bundled(dbcsr) = %{dbcsr_version} # Libint can break the API between releases Requires: libint2(api)%{?_isa} = %{_libint2_apiversion} Requires: %{name}-common = %{version}-%{release} %global cp2k_desc_base \ CP2K is a freely available (GPL) program, written in Fortran 95, to\ perform atomistic and molecular simulations of solid state, liquid,\ molecular and biological systems. It provides a general framework for\ different methods such as e.g. density functional theory (DFT) using a\ mixed Gaussian and plane waves approach (GPW), and classical pair and\ many-body potentials.\ \ CP2K does not implement Car-Parinello Molecular Dynamics (CPMD). %description %{cp2k_desc_base} This package contains the non-MPI single process and multi-threaded versions. %package openmpi Summary: Molecular simulations software - openmpi version BuildRequires: openmpi-devel BuildRequires: blacs-openmpi-devel BuildRequires: elpa-openmpi-devel >= 2018.05.001 BuildRequires: scalapack-openmpi-devel Provides: bundled(dbcsr) = %{dbcsr_version} Requires: %{name}-common = %{version}-%{release} # Libint may have API breakage Requires: libint2(api)%{?_isa} = %{_libint2_apiversion} %description openmpi %{cp2k_desc_base} This package contains the parallel single- and multi-threaded versions using OpenMPI. %package mpich Summary: Molecular simulations software - mpich version BuildRequires: mpich-devel BuildRequires: blacs-mpich-devel BuildRequires: elpa-mpich-devel >= 2018.05.001 BuildRequires: scalapack-mpich-devel BuildRequires: make Provides: bundled(dbcsr) = %{dbcsr_version} Requires: %{name}-common = %{version}-%{release} # Libint may have API breakage Requires: libint2(api)%{?_isa} = %{_libint2_apiversion} %description mpich %{cp2k_desc_base} This package contains the parallel single- and multi-threaded versions using mpich. %package common Summary: Molecular simulations software - common files %description common %{cp2k_desc_base} This package contains the documentation and the manual. %prep %if %{git} %setup -q -n %{name}-%{commit} tar xzf %{S:1} -C exts/dbcsr --strip-components=1 echo git:%{shortcommit} > REVISION %else %setup -q %endif %patch10 -p1 -b .r sed -i 's|@libdir@|%{_libdir}|' Makefile rm tools/build_utils/fypp rm -rv exts/dbcsr/tools/build_utils/fypp # Generate necessary symlinks TARGET=Linux-%{_target_cpu}-gfortran ln -s Linux-x86-64-gfortran.ssmp arch/${TARGET}.ssmp for m in mpich openmpi ; do ln -s Linux-x86-64-gfortran.psmp arch/${TARGET}-${m}.psmp done # fix crashes in fftw on i686. Need to run on original file, otherwise symlinks will be replaced with copies. %ifarch i686 sed -i 's/-D__FFTW3/-D__FFTW3 -D__FFTW3_UNALIGNED/g' arch/Linux-x86-64-gfortran* %endif for f in arch/Linux-x86-64-gfortran.{psmp,ssmp}; do %ifarch x86_64 sed -i 's|@LIBSMM_DEFS@|-D__LIBXSMM|;s|@LIBSMM_LIBS@|-lxsmmf -lxsmm|' $f %else sed -i 's|@LIBSMM_DEFS@||;s|@LIBSMM_LIBS@||' $f %endif done pathfix.py -i "%{__python3} -Es" -p $(find . -type f -name *.py) %build TARGET=Linux-%{_target_cpu}-gfortran OPTFLAGS_COMMON="%(echo %{optflags} | sed -e 's/ -Werror=format-security//g') -fPIC -I%{_fmoddir} -fallow-argument-mismatch" make OPTFLAGS="${OPTFLAGS_COMMON}" DISTLDFLAGS="%{__global_ldflags} -Wl,-rpath,%{_libdir}/cp2k" %{?_smp_mflags} ARCH="${TARGET}" VERSION="ssmp" %{_openmpi_load} make OPTFLAGS="${OPTFLAGS_COMMON} -I%{_fmoddir}/openmpi" DISTLDFLAGS="%{__global_ldflags} -Wl,-rpath,${MPI_LIB}/cp2k" %{?_smp_mflags} ARCH="${TARGET}-openmpi" VERSION="psmp" %{_openmpi_unload} %{_mpich_load} make OPTFLAGS="${OPTFLAGS_COMMON} -I%{_fmoddir}/mpich" DISTLDFLAGS="%{__global_ldflags} -Wl,-rpath,${MPI_LIB}/cp2k" %{?_smp_mflags} ARCH="${TARGET}-mpich" VERSION="psmp" %{_mpich_unload} %install TARGET=Linux-%{_target_cpu}-gfortran mkdir -p %{buildroot}{%{_bindir},%{_libdir}/cp2k,%{_datadir}/cp2k} install -pm755 exe/${TARGET}/cp2k.ssmp %{buildroot}%{_bindir} ln -s cp2k.ssmp %{buildroot}%{_bindir}/cp2k.sopt ln -s cp2k.ssmp %{buildroot}%{_bindir}/cp2k_shell.ssmp install -pm755 lib/${TARGET}/ssmp/lib*.so %{buildroot}%{_libdir}/cp2k/ install -pm755 lib/${TARGET}/ssmp/exts/dbcsr/libdbcsr.so %{buildroot}%{_libdir}/cp2k/ %{_openmpi_load} mkdir -p %{buildroot}{${MPI_BIN},${MPI_LIB}/cp2k} install -pm755 exe/${TARGET}-openmpi/cp2k.psmp %{buildroot}${MPI_BIN}/cp2k.psmp_openmpi ln -s cp2k.psmp_openmpi %{buildroot}${MPI_BIN}/cp2k.popt_openmpi ln -s cp2k.psmp_openmpi %{buildroot}${MPI_BIN}/cp2k_shell.psmp_openmpi install -pm755 lib/${TARGET}-openmpi/psmp/lib*.so %{buildroot}${MPI_LIB}/cp2k/ install -pm755 lib/${TARGET}-openmpi/psmp/exts/dbcsr/libdbcsr.so %{buildroot}${MPI_LIB}/cp2k/ %{_openmpi_unload} %{_mpich_load} mkdir -p %{buildroot}{${MPI_BIN},${MPI_LIB}/cp2k} install -pm755 exe/${TARGET}-mpich/cp2k.psmp %{buildroot}${MPI_BIN}/cp2k.psmp_mpich ln -s cp2k.psmp_mpich %{buildroot}${MPI_BIN}/cp2k.popt_mpich ln -s cp2k.psmp_mpich %{buildroot}${MPI_BIN}/cp2k_shell.psmp_mpich install -pm755 lib/${TARGET}-mpich/psmp/lib*.so %{buildroot}${MPI_LIB}/cp2k/ install -pm755 lib/${TARGET}-mpich/psmp/exts/dbcsr/libdbcsr.so %{buildroot}${MPI_LIB}/cp2k/ %{_mpich_unload} cp -pr data/* %{buildroot}%{_datadir}/cp2k/ %if %{with check} # regtests take ~12 hours on aarch64 and ~48h on s390x %check cat > fedora.config << __EOF__ export LC_ALL=C dir_base=%{_builddir} __EOF__ . /etc/profile.d/modules.sh export CP2K_DATA_DIR=%{buildroot}%{_datadir}/cp2k/ for mpi in '' mpich openmpi ; do if [ -n "$mpi" ]; then module load mpi/${mpi}-%{_arch} libdir=${MPI_LIB}/cp2k mpiopts="-maxtasks 4 -mpiranks 2" par=p suf="-${mpi}" else libdir=%{_libdir}/cp2k mpiopts="" par=s suf="" fi export LD_LIBRARY_PATH=%{buildroot}${libdir}${LD_LIBRARY_PATH:+:$LD_LIBRARY_PATH} tools/regtesting/do_regtest \ -arch Linux-%{_target_cpu}-gfortran${suf} \ -config fedora.config \ %if %{git} -cp2kdir cp2k-%{commit} \ %else -cp2kdir cp2k-%{version} \ %endif ${mpiopts} \ -nobuild \ -version ${par}smp \ if [ -n "$mpi" ]; then module unload mpi/${mpi}-%{_arch} fi done %endif %files common %license LICENSE %doc README.md %{_datadir}/cp2k %files %{_bindir}/cp2k.sopt %{_bindir}/cp2k.ssmp %{_bindir}/cp2k_shell.ssmp %dir %{_libdir}/cp2k %{_libdir}/cp2k/lib*.so %files openmpi %{_libdir}/openmpi/bin/cp2k.popt_openmpi %{_libdir}/openmpi/bin/cp2k.psmp_openmpi %{_libdir}/openmpi/bin/cp2k_shell.psmp_openmpi %dir %{_libdir}/openmpi/lib/cp2k %{_libdir}/openmpi/lib/cp2k/lib*.so %files mpich %{_libdir}/mpich/bin/cp2k.popt_mpich %{_libdir}/mpich/bin/cp2k.psmp_mpich %{_libdir}/mpich/bin/cp2k_shell.psmp_mpich %dir %{_libdir}/mpich/lib/cp2k %{_libdir}/mpich/lib/cp2k/lib*.so %changelog * Thu Oct 27 2022 Mamoru TASAKA - 9.1-4 - Rebuild for new libxc * Wed Jul 20 2022 Fedora Release Engineering - 9.1-3 - Rebuilt for https://fedoraproject.org/wiki/Fedora_37_Mass_Rebuild * Tue Mar 22 2022 Dominik Mierzejewski - 9.1-2 - fix three failing tests due to wrong LD_LIBRARY_PATH setting * Wed Mar 16 2022 Dominik Mierzejewski - 9.1-1 - update to 9.1 (#2036421) - re-enable LTO on x86_64 * Wed Jan 19 2022 Fedora Release Engineering - 8.2-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_36_Mass_Rebuild * Thu Sep 30 2021 Dominik Mierzejewski - 8.2-1 - update to 8.2 (#1911741) - drop obsolete patch - enable spglib support * Tue Jan 26 2021 Fedora Release Engineering - 7.1-2.20200925gitdbf7a77 - Rebuilt for https://fedoraproject.org/wiki/Fedora_34_Mass_Rebuild * Fri Sep 25 2020 Dominik Mierzejewski - 7.1-1 - update to post-7.1 snapshot for gcc-10 compatibility (#1786794) - [sp]opt variants are no longer built (use OMP_NUM_THREADS=1 instead) * Mon Aug 10 2020 Iñaki Úcar - 6.1-10 - https://fedoraproject.org/wiki/Changes/FlexiBLAS_as_BLAS/LAPACK_manager * Sat Aug 01 2020 Fedora Release Engineering - 6.1-9 - Second attempt - Rebuilt for https://fedoraproject.org/wiki/Fedora_33_Mass_Rebuild * Mon Jul 27 2020 Fedora Release Engineering - 6.1-8 - Rebuilt for https://fedoraproject.org/wiki/Fedora_33_Mass_Rebuild * Tue Jan 28 2020 Fedora Release Engineering - 6.1-7 - Rebuilt for https://fedoraproject.org/wiki/Fedora_32_Mass_Rebuild * Sun Nov 17 2019 Tom Callaway - 6.1-6 - build against scalapack (no more libmpiblacs) * Sat Aug 10 2019 Dominik Mierzejewski - 6.1-5 - fix FTBFS due to wrong LDFLAGS override (#1735053) * Wed Jul 24 2019 Fedora Release Engineering - 6.1-4 - Rebuilt for https://fedoraproject.org/wiki/Fedora_31_Mass_Rebuild * Thu Feb 14 2019 Orion Poplawski - 6.1-3 - Rebuild for openmpi 3.1.3 * Thu Jan 31 2019 Fedora Release Engineering - 6.1-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_30_Mass_Rebuild * Mon Jul 16 2018 Dominik Mierzejewski - 6.1-1 - update to 6.1 - drop obsolete patches - openblas is available on all supported arches, drop conditional atlas support * Thu Jul 12 2018 Fedora Release Engineering - 5.1-5 - Rebuilt for https://fedoraproject.org/wiki/Fedora_29_Mass_Rebuild * Tue May 22 2018 Dominik Mierzejewski - 5.1-4 - rebuild against libxsmm-1.8.3-1 which changed SONAME (#1577497) * Wed Feb 07 2018 Dominik Mierzejewski - 5.1-3 - use upstream patch for libxc-4.x support - reorder and adjust patches - unbundle fypp - use python3 in build scripts * Wed Feb 07 2018 Fedora Release Engineering - 5.1-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_28_Mass_Rebuild * Wed Jan 17 2018 Dominik Mierzejewski - 5.1-1 - update to 5.1 - conditionalize testing and disable by default as they take too long - test all flavors, not just OpenMPI ssmp - fix compilation on 32bit architectures * Mon Oct 23 2017 Susi Lehtola - 4.1-5 - Rebuild against libxc 4. * Wed Aug 02 2017 Fedora Release Engineering - 4.1-4 - Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Binutils_Mass_Rebuild * Wed Jul 26 2017 Fedora Release Engineering - 4.1-3 - Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Mass_Rebuild * Sat Jun 17 2017 Dominik Mierzejewski - 4.1-2 - build with libxsmm on x86_64 for improved matrix multiplication performance - simplify some loops - drop support for old blacs (even EL6 has scalapack with blacs now) * Thu Jun 15 2017 Dominik Mierzejewski - 4.1-1 - update to 4.1 + two backported patches - build with openblas on supported arches (following scalapack and elpa) - don't run tests on armv7hl and s390x (too slow) * Mon Feb 06 2017 Zbigniew Jędrzejewski-Szmek - 3.0-6 - Rebuild for libgfortran.so.4 * Sat Oct 22 2016 Orion Poplawski - 3.0-5 - Rebuild for openmpi 2.0 * Thu May 26 2016 Dominik Mierzejewski - 3.0-4 - merge cp2k-shared.patch into cp2k-rpm.patch - build and install serial version first * Mon May 09 2016 Dominik Mierzejewski - 3.0-3 - filter out all private Requires: and Provides: (#1332985) * Thu Apr 21 2016 Susi Lehtola - 3.0-2 - Build against libxc 3.0.0. * Sun Apr 10 2016 Dominik Mierzejewski - 3.0-1 - update to 3.0 release (#1217862) - specify target manually instead of using get_arch_code, it's been removed upstream - move shared libraries to private directory and don't invent ABI version - separate regtest results tarball is no longer necessary - bring back support for building with libxc-2.1.2 - fix paths for MPI-enabled libraries - revamp regtest script calling - disable regtests for now, they are hanging in tests/QS/regtest-ri-rpa (#1326661) - clean-up spec file (drop unnecessary stuff) - use license macro * Wed Feb 03 2016 Fedora Release Engineering - 2.7.0-0.4.20150911svn15878 - Rebuilt for https://fedoraproject.org/wiki/Fedora_24_Mass_Rebuild * Tue Sep 29 2015 Peter Robinson 2.7.0-0.3.20150911svn15878 - Rebuild (MPI) * Fri Sep 11 2015 Dominik Mierzejewski - 2.7.0-0.2.20150911svn15878 - update to SVN trunk HEAD (r15878) - drop obsolete patch - fix ppc64 platform detection - don't run regtests on armv7hl for now (too slow) * Tue Sep 08 2015 Dominik Mierzejewski - 2.7.0-0.1.20150908svn15859 - update to SVN trunk HEAD (r15859) - drop obsolete patch - build shared libraries and include cp2k_shell (#1132973) - include data files (#1220730) - fix compilation of MPI code on 32-bit platforms * Mon Aug 24 2015 Dominik Mierzejewski - 2.6.1-1 - update to 2.6.1 - drop obsolete patch - use psmp build for regtesting - make our regtesting config more similar to upstream * Sun Aug 16 2015 Zbigniew Jędrzejewski-Szmek - 2.6.0-6 - Rebuild for MPI provides * Mon Jul 27 2015 Sandro Mani - 2.6.0-5 - Rebuild for RPM MPI Requires Provides Change * Wed Jun 17 2015 Fedora Release Engineering - 2.6.0-4 - Rebuilt for https://fedoraproject.org/wiki/Fedora_23_Mass_Rebuild * Sat May 02 2015 Kalev Lember - 2.6.0-3 - Rebuilt for GCC 5 C++11 ABI change * Fri May 01 2015 Dominik Mierzejewski - 2.6.0-2 - re-enable tests on i686 and armv7hl, they seem to complete now * Tue Mar 17 2015 Dominik Mierzejewski - 2.6.0-1 - update to 2.6.0 release - makedepf90 no longer required (replaced with python script) - drop upstreamed patch - backport fixes from 2.6 stable branch * Mon Mar 16 2015 Thomas Spura - 2.5.1-11 - Rebuild for changed mpich libraries * Tue Oct 14 2014 Dominik Mierzejewski - 2.5.1-10 - add Linux on non-x86 support to tools/get_arch_code * Tue Sep 09 2014 Susi Lehtola - 2.5.1-9 - Requires: libint(api). * Sat Aug 16 2014 Fedora Release Engineering - 2.5.1-8 - Rebuilt for https://fedoraproject.org/wiki/Fedora_21_22_Mass_Rebuild * Tue Jun 24 2014 Dominik Mierzejewski - 2.5.1-7 - add ELPA support - fix download link for reference test data * Wed Jun 18 2014 Dominik Mierzejewski - 2.5.1-6 - rebuild for libint * Sat Jun 07 2014 Fedora Release Engineering - 2.5.1-5 - Rebuilt for https://fedoraproject.org/wiki/Fedora_21_Mass_Rebuild * Tue May 20 2014 Thomas Spura - 2.5.1-4 - run tests with openmpi on 2 cores * Tue May 13 2014 Thomas Spura - 2.5.1-3 - add upstream reference data for evaluating tests * Mon May 12 2014 Tom Callaway - 2.5.1-2 - compile against new blacs in rawhide * Fri Mar 14 2014 Dominik Mierzejewski - 2.5.1-1 - update to upstream 2.5.1 release - drop backported compilation fix * Tue Mar 11 2014 Dominik Mierzejewski - 2.5.0-1 - update to upstream 2.5 release - backport compilation fix from SVN - fix description (cp2k doesn't implement Car-Parinello Molecular Dynamics) * Mon Mar 10 2014 Susi Lehtola - 2.5-0.5.20131112svn13316 - Rebuild against updated libint. * Sat Feb 22 2014 Deji Akingunola - 2.5-0.4.20131112svn13316 - Rebuild for mpich-3.1 * Mon Dec 23 2013 Susi Lehtola - 2.5-0.3.20131112svn13316 - Rebuild against new libint. * Fri Nov 15 2013 Dominik Mierzejewski - 2.5-0.2.20131112svn13316 - use xz to compress SVN snapshot tarball * Wed Nov 13 2013 Dominik Mierzejewski - 2.5-0.1.20131112svn13316 - update to current SVN trunk - fix build against atlas >= 3.10.1 - use non-threaded atlas for OpenMP builds per upstream recommendation - fix BR broken by UsrMove feature * Sat Aug 03 2013 Fedora Release Engineering - 2.4-6 - Rebuilt for https://fedoraproject.org/wiki/Fedora_20_Mass_Rebuild * Sat Jul 20 2013 Deji Akingunola - 2.4-5 - Rename mpich2 sub-packages to mpich and rebuild for mpich-3.0 * Sun Jul 14 2013 Dominik Mierzejewski - 2.4-4 - rebuild for new OpenMPI * Tue Jul 02 2013 Dominik Mierzejewski - 2.4-3 - build psmp variants (MPI+OpenMP) - move ssmp build to main package and drop smp subpackage - drop local config files, patch upstream's and symlink when necessary - save the output of tools/get_arch_code and re-use it * Wed Jun 19 2013 Dominik Mierzejewski - 2.4-2 - add MPI implementation suffix back to MPI binaries (required by guidelines) * Mon Jun 17 2013 Dominik Mierzejewski - 2.4-1 - update to 2.4 release - drop gfortran-4.8 patch (fixed upstream) - reorder libraries in LDFLAGS again to follow current upstream config - rename both MPI binaries to cp2k.popt * Thu Apr 18 2013 Dominik Mierzejewski - 2.4-0.5.20130418 - correct SVN url in snapshot script - update to current SVN trunk (r12842) - use (and patch) upstream-provided configs for x86_64 ssmp and popt builds - no need to force FC=gfortran anymore * Wed Apr 17 2013 Dominik Mierzejewski - 2.4-0.4.20130220 - fix build with gfortran-4.8 (bug #913927) - link with libf77blas for MPI builds to avoid undefined reference to symbol 'dgemm_' * Sun Apr 14 2013 Dominik Mierzejewski - 2.4-0.3.20130220 - fix crashes in fftw on i686 (patch by Michael Banck) * Fri Feb 22 2013 Dominik Mierzejewski - 2.4-0.2.20130220 - add requires for respective blacs and scalapack versions * Wed Feb 20 2013 Dominik Mierzejewski - 2.4-0.1.20130220 - re-enable regtests - update to current SVN trunk (2.4) - drop svn patch (no longer needed) - link with libfftw3_omp for ssmp build - reorder libraries in LDFLAGS per M. Guidon's cp2k installation primer - add -ffree-line-length-none to Fortran flags - add a patch to echo the name of reach test (from Debian package) - build with libxc - update libint/libderiv options to match current builds * Wed Feb 13 2013 Fedora Release Engineering - 2.3-3 - Rebuilt for https://fedoraproject.org/wiki/Fedora_19_Mass_Rebuild * Wed Dec 26 2012 Kevin Fenzi 2.3-2 - Rebuild for new libmpich * Wed Sep 05 2012 Dominik Mierzejewski - 2.3-1 - updated to 2.3 release * Sun Aug 26 2012 Dominik Mierzejewski - 2.3-0.20120825 - updated to current 2.3 branch (trunk) - added snapshot creator script - moved new files out of -rpm patch and into separate SourceN entries - dropped non-standard compiler flags from MPI builds * Wed Jul 25 2012 Jussi Lehtola - 2.1-7.20101006 - Rebuild due to changed libint. * Tue Jul 24 2012 Thomas Spura - 2.1-6.20101006 - don't run testsuite as it is only usefull when comparing to old outputs (which we don't have at buildtime) - define common description macro - also build with openmpi/mpich2 - new url * Wed Jul 18 2012 Fedora Release Engineering - 2.1-5.20101006 - Rebuilt for https://fedoraproject.org/wiki/Fedora_18_Mass_Rebuild * Thu Jan 12 2012 Fedora Release Engineering - 2.1-4.20101006 - Rebuilt for https://fedoraproject.org/wiki/Fedora_17_Mass_Rebuild * Tue Feb 08 2011 Fedora Release Engineering - 2.1-3.20101006 - Rebuilt for https://fedoraproject.org/wiki/Fedora_15_Mass_Rebuild * Tue Dec 07 2010 Dominik Mierzejewski 2.1-2.20101006 - make Summary more descriptive - use atlas instead of blas/lapack - pass special CFLAGS to support libint's higher values of angular momentum * Fri Dec 03 2010 Dominik Mierzejewski 2.1-1.20101006 - initial package