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87 commits

Author SHA1 Message Date
Fedora Release Engineering
67cad9be9e Rebuilt for https://fedoraproject.org/wiki/Fedora_43_Mass_Rebuild 2025-07-24 19:49:50 +00:00
Fedora Release Engineering
b6da8bc35c Rebuilt for https://fedoraproject.org/wiki/Fedora_42_Mass_Rebuild 2025-01-17 11:34:57 +00:00
Susi Lehtola
def0e77f3a Fix location of data directory in generated CMake config. 2024-09-03 18:28:39 +00:00
Susi Lehtola
9dc2f1aae6 Add necessary requires to -devel. 2024-09-03 07:34:56 +00:00
Susi Lehtola
68b0304c5b Now got a similar failure to ppc64 on aarch64 where the build succeeded last time. Re-enable pcc64le and decrease number of threads 2024-08-21 13:28:52 +00:00
Susi Lehtola
3bf1651fe0 Build succeeds on x86_64, aarch64 and s390x; disable pcc64le architecture 2024-08-21 12:20:46 +00:00
Susi Lehtola
16c83e2854 Fix license tag and disable x86 arch to try to get builds to work 2024-08-21 09:00:43 +00:00
Susi Lehtola
1e83f747c0 New version produces soversioned library 2024-08-18 11:56:31 +00:00
Susi Lehtola
f95b734ed1 include sources 2024-08-18 07:23:31 +00:00
Susi Lehtola
fb5c2f8654 Update to 2.9.0 and try to fix build failure 2024-08-18 07:12:26 +00:00
Miroslav Suchý
e9e1e263ae convert GPLv2+ license to SPDX
This is part of https://fedoraproject.org/wiki/Changes/SPDX_Licenses_Phase_4
2024-07-26 00:55:53 +02:00
Fedora Release Engineering
236f5a7bce Rebuilt for https://fedoraproject.org/wiki/Fedora_41_Mass_Rebuild 2024-07-18 14:10:33 +00:00
Susi Lehtola
8c66c69c14 Missing BR: pybind11-devel 2024-02-23 11:19:03 +00:00
Susi Lehtola
5d2f972593 Forgot some sources 2024-02-23 10:59:19 +00:00
Susi Lehtola
48cc1034c8 Finishing up on 2.8.2 build, now to build it on a side tag 2024-02-23 10:40:08 +00:00
Susi Lehtola
d5bc99508f Work to update to 2.8.2. 2024-02-21 13:03:03 +00:00
Fedora Release Engineering
ad116b8cbe Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild 2024-01-25 02:33:02 +00:00
Fedora Release Engineering
6854cce516 Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild 2024-01-21 04:23:16 +00:00
Fedora Release Engineering
3145dc90c4 Rebuilt for https://fedoraproject.org/wiki/Fedora_39_Mass_Rebuild
Signed-off-by: Fedora Release Engineering <releng@fedoraproject.org>
2023-07-20 11:11:14 +00:00
Fedora Release Engineering
cf21db9170 Rebuilt for https://fedoraproject.org/wiki/Fedora_38_Mass_Rebuild
Signed-off-by: Fedora Release Engineering <releng@fedoraproject.org>
2023-01-19 16:37:17 +00:00
Fedora Release Engineering
563463c553 Rebuilt for https://fedoraproject.org/wiki/Fedora_37_Mass_Rebuild
Signed-off-by: Fedora Release Engineering <releng@fedoraproject.org>
2022-07-21 18:06:58 +00:00
Fedora Release Engineering
3c1072305f - Rebuilt for https://fedoraproject.org/wiki/Fedora_36_Mass_Rebuild
Signed-off-by: Fedora Release Engineering <releng@fedoraproject.org>
2022-01-20 16:29:14 +00:00
Fedora Release Engineering
5b13d942bc - Rebuilt for https://fedoraproject.org/wiki/Fedora_35_Mass_Rebuild
Signed-off-by: Fedora Release Engineering <releng@fedoraproject.org>
2021-07-22 11:38:04 +00:00
Jeff Law
f64510a702 Disable LTO on arm 2021-02-21 22:13:02 -07:00
Fedora Release Engineering
65c7ee573d - Rebuilt for https://fedoraproject.org/wiki/Fedora_34_Mass_Rebuild
Signed-off-by: Fedora Release Engineering <releng@fedoraproject.org>
2021-01-26 17:18:41 +00:00
Tom Stellard
989b8e2530 Add BuildRequires: make
https://fedoraproject.org/wiki/Changes/Remove_make_from_BuildRoot
2021-01-05 02:03:01 +00:00
Susi Lehtola
ebe93e66dc Buildrequire python 2020-10-21 00:21:17 +02:00
Susi Lehtola
a37b152ba3 Disable buggy eigen3 support until 2.7.0 is released. 2020-09-29 19:05:37 +02:00
Susi Lehtola
d990865234 Fix syntax 2020-08-16 10:14:22 +02:00
Susi Lehtola
2367763a25 Enable eigen3 support 2020-08-16 10:05:49 +02:00
Susi Lehtola
6c5763b5c6 Add BR: eigen3-devel. 2020-08-15 16:03:20 +02:00
Susi Lehtola
82380e9f92 Feed in CXX opt flags 2020-08-15 15:57:54 +02:00
Susi Lehtola
e05cdb3e5b Enable Fortran bindings (BZ #1728161). 2020-08-15 15:51:17 +02:00
Susi Lehtola
e19906d76d Use macros, cmake files are now in libdir not datadir 2020-08-11 14:16:26 +02:00
Susi Lehtola
68d7283912 Make sure cmake directory exists 2020-08-11 10:25:17 +02:00
Fedora Release Engineering
3ac117af02 - Second attempt - Rebuilt for https://fedoraproject.org/wiki/Fedora_33_Mass_Rebuild
Signed-off-by: Fedora Release Engineering <releng@fedoraproject.org>
2020-08-01 03:58:33 +00:00
Fedora Release Engineering
c2010a1441 - Rebuilt for https://fedoraproject.org/wiki/Fedora_33_Mass_Rebuild
Signed-off-by: Fedora Release Engineering <releng@fedoraproject.org>
2020-07-28 04:53:45 +00:00
Fedora Release Engineering
b88ddb8e95 - Rebuilt for https://fedoraproject.org/wiki/Fedora_32_Mass_Rebuild
Signed-off-by: Fedora Release Engineering <releng@fedoraproject.org>
2020-01-29 09:26:16 +00:00
Susi Lehtola
10a102c3c6 Add CMake file. 2019-08-03 12:15:38 +02:00
Susi Lehtola
35c4e3ff04 Update source dir name. 2019-08-02 22:13:32 +02:00
Susi Lehtola
a5c120787f Update to 2.6.0. 2019-08-02 22:01:35 +02:00
Fedora Release Engineering
35d4744341 - Rebuilt for https://fedoraproject.org/wiki/Fedora_31_Mass_Rebuild
Signed-off-by: Fedora Release Engineering <releng@fedoraproject.org>
2019-07-25 13:32:50 +00:00
Fedora Release Engineering
96eff99572 - Rebuilt for https://fedoraproject.org/wiki/Fedora_30_Mass_Rebuild
Signed-off-by: Fedora Release Engineering <releng@fedoraproject.org>
2019-02-01 07:24:08 +00:00
Igor Gnatenko
2196e709ee Remove obsolete Group tag
References: https://fedoraproject.org/wiki/Changes/Remove_Group_Tag
2019-01-28 20:24:11 +01:00
Igor Gnatenko
5c2955b0b2
Remove obsolete ldconfig scriptlets
References: https://fedoraproject.org/wiki/Changes/RemoveObsoleteScriptlets
Signed-off-by: Igor Gnatenko <ignatenkobrain@fedoraproject.org>
2019-01-22 18:39:48 +01:00
Igor Gnatenko
f3ebec7472
Add missing BuildRequires on gcc-c++
configure: error: C++ compiler cannot create executables

References: https://bugzilla.redhat.com/show_bug.cgi?id=1604601
Signed-off-by: Igor Gnatenko <ignatenkobrain@fedoraproject.org>
2018-07-24 16:16:16 +02:00
Fedora Release Engineering
86dca567b5 - Rebuilt for https://fedoraproject.org/wiki/Fedora_29_Mass_Rebuild
Signed-off-by: Fedora Release Engineering <releng@fedoraproject.org>
2018-07-13 08:16:41 +00:00
Igor Gnatenko
640f92e486
Remove %clean section
None of currently supported distributions need that.
Last one was EL5 which is EOL for a while.

Signed-off-by: Igor Gnatenko <ignatenkobrain@fedoraproject.org>
2018-02-14 07:18:31 +01:00
Igor Gnatenko
bae7463532 Remove BuildRoot definition
None of currently supported distributions need that.
It was needed last for EL5 which is EOL now

Signed-off-by: Igor Gnatenko <ignatenkobrain@fedoraproject.org>
2018-02-13 23:40:14 +01:00
Fedora Release Engineering
172e075abe - Rebuilt for https://fedoraproject.org/wiki/Fedora_28_Mass_Rebuild
Signed-off-by: Fedora Release Engineering <releng@fedoraproject.org>
2018-02-07 21:58:05 +00:00
Fedora Release Engineering
c91b7e5535 - Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Binutils_Mass_Rebuild 2017-08-03 01:40:10 +00:00
Fedora Release Engineering
e356ba47d4 - Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Mass_Rebuild 2017-07-26 19:04:12 +00:00
Fedora Release Engineering
59cdf802e8 - Rebuilt for https://fedoraproject.org/wiki/Fedora_26_27_Mass_Rebuild 2017-05-15 21:27:59 +00:00
Fedora Release Engineering
32cb4cc382 - Rebuilt for https://fedoraproject.org/wiki/Fedora_26_Mass_Rebuild 2017-02-10 18:51:48 +00:00
Jonathan Wakely
0f1639f319 Rebuilt for Boost 1.63 2017-01-27 06:21:53 +00:00
Susi Lehtola
1e87c871d6 I accidentally used xz instead of bzip2. 2016-07-11 22:02:34 +02:00
Susi Lehtola
edbfd336a2 Update to 2.1.0. Always use sources pregenerated with the attached script. 2016-07-11 03:22:22 +02:00
Susi Lehtola
6c33316d84 Don't bootstrap on EPEL7. 2016-07-09 22:44:32 +02:00
Susi Lehtola
18898db411 Use pregenerated programmer's manual when not bootstrapping. 2016-07-09 22:23:22 +02:00
Susi Lehtola
79600e4ed6 Rework the documentation build requires. 2016-07-09 06:53:54 +02:00
Dennis Gilmore
fad6f73bf7 - Rebuilt for https://fedoraproject.org/wiki/Fedora_24_Mass_Rebuild 2016-02-04 03:21:19 +00:00
Jonathan Wakely
c1dbd0bfed Rebuilt for Boost 1.60 2016-01-15 09:57:30 +00:00
Jonathan Wakely
1f712cffba Rebuilt for Boost 1.59 2015-08-27 20:57:31 +01:00
Dennis Gilmore
0f4eb4310f - Rebuilt for https://fedoraproject.org/wiki/Changes/F23Boost159 2015-07-29 12:36:21 -05:00
David Tardon
b01bb10292 rebuild for Boost 1.58 2015-07-22 18:51:14 +02:00
Dennis Gilmore
f5849d3bdb - Rebuilt for https://fedoraproject.org/wiki/Fedora_23_Mass_Rebuild 2015-06-17 15:52:11 +00:00
Kalev Lember
5945955780 Rebuilt for GCC 5 C++11 ABI change 2015-05-02 15:19:29 +02:00
Petr Machata
4ff4fc2422 Rebuild for boost 1.57.0 2015-01-27 17:17:08 +01:00
Susi Lehtola
a376869e53 Need to define macro directory. 2014-09-10 00:22:18 +02:00
Susi Lehtola
e48af61485 Provide libint2(api) and rpm macro. 2014-09-09 21:54:21 +02:00
Susi Lehtola
fbad503654 Add latex requirements for EPEL7. 2014-09-06 05:43:09 +02:00
Peter Robinson
8f53eed969 - Rebuilt for https://fedoraproject.org/wiki/Fedora_21_22_Mass_Rebuild 2014-08-17 04:00:54 +00:00
Dennis Gilmore
68870f236e - Rebuilt for https://fedoraproject.org/wiki/Fedora_21_Mass_Rebuild 2014-06-06 22:55:56 -05:00
Petr Machata
732789fc11 Rebuild for boost 1.55.0 2014-05-23 05:10:58 +02:00
Dennis Gilmore
73d8fc3d45 - Rebuilt for https://fedoraproject.org/wiki/Fedora_20_Mass_Rebuild 2013-08-03 00:53:29 -05:00
Petr Machata
414fd4cf8b Rebuild for boost 1.54.0 2013-07-30 14:18:14 +02:00
Susi Lehtola
f7ede3f71d Whoops, patch1 isn't necessary anymore. 2013-07-11 21:09:51 +03:00
Susi Lehtola
ee5be6128e Use xz to compress tarball. Update to revision 644. 2013-07-11 20:56:46 +03:00
Susi Lehtola
b379c3e3af Run autoconf. 2013-05-21 12:50:03 +03:00
Susi Lehtola
a6a504cf67 Reduce maximum angular momentum of derivative ERIs. Enabled g12 and g12dkh integrals. 2013-05-21 12:12:02 +03:00
Susi Lehtola
ac95fe88ef Whoops, forgot patch 2013-05-20 12:14:45 +03:00
Susi Lehtola
551f306051 Use pregenerated sources only on EPEL. 2013-05-19 21:25:42 +03:00
Susi Lehtola
3c2108771a Disable ppc arch. 2013-05-13 10:40:38 +03:00
Susi Lehtola
0d842f3933 Use pregenerated tarball. 2013-05-12 20:36:31 +03:00
Susi Lehtola
a10804265e Update to 615hg, fixing FTBFS. 2013-05-10 00:26:52 +03:00
Susi Lehtola
d1623d33cc Doesn't build on i386, make package ExclusiveArch. 2013-05-07 18:42:59 +03:00
Susi Lehtola
3b2b3f2d4c Initial import. 2013-05-07 16:32:08 +03:00
8 changed files with 513 additions and 1 deletions

21
.gitignore vendored Normal file
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@ -0,0 +1,21 @@
/libint2-607hg.tar.bz2
/libint2-614hg.tar.bz2
/libint2-615hg.tar.bz2
/libint-2.0.2-618hg.tgz
/libint2-641hg.tar.bz2
/libint-2.0.3-641hg.tgz
/libint2-644hg.tar.xz
/libint-2.0.3-644hg.tar.xz
/progman.pdf
/v2.1.0.tar.gz
/libint-2.1.0-classdoc.tar.bz2
/libint-2.1.0-stable.tgz
/v2.6.0.tar.gz
/libint-2.6.0.tgz
/libint-2.6.0-classdoc.tar.bz2
/libint-2.8.2.tgz
/v2.8.2.tar.gz
/progman-2.8.2.pdf
/v2.9.0.tar.gz
/progman-2.9.0.pdf
/libint-2.9.0.tar.xz

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@ -1 +0,0 @@
epel8-playground decommissioned : https://pagure.io/epel/issue/136

92
generate-sources.sh Normal file
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@ -0,0 +1,92 @@
# Generate libint2 source tarball.
# 2024-02-21 Susi Lehtola
# Before running this script, make sure that you have all the
# buildrequires for building libint2 w/ bootstrapping by running the command
# sudo dnf install boost-devel gmp-devel mpfr-devel autoconf automake "tex(latex)" "tex(appendix.sty)" "tex(framed.sty)" "tex(mathcomp.sty)" "tex(subfigure.sty)" "tex(wrapfig.sty)" "tex-bibtex" "tex(bbding.sty)" "tex(braket.sty)" "tex(sfmath.sty)" latex2html
# Read the version from the spec file
ver=`grep "Version" libint2.spec|awk '{print $2}'`
echo "Using version $ver."
# Get the sources
if [ ! -f v${ver}.tar.gz ]; then
wget https://github.com/evaleev/libint/archive/v${ver}.tar.gz
fi
# Unzip tarball
if [ ! -d libint-${ver} ]; then
tar zxf v${ver}.tar.gz
fi
# Go into the directory
cd libint-${ver}
# Run autoconf
aclocal -I lib/autoconf
autoconf
# Object directory
if [ ! -d objdir ]; then
mkdir objdir
fi
cd objdir
# Configure the options for the target library
if [ ! -f libint-${ver}.tgz ]; then
echo "libint-${ver}.tgz does not exist, generating."
export CXX=g++
# Optimization flags to use for the compiler (just speeds up the generation)
export OPTFLAGS=`rpm --eval %{optflags}`
export CXXGENFLAGS=`rpm --eval %{optflags}`
if(( 1 )); then
../configure --enable-shared --disable-static \
--enable-eri=2 --enable-eri3=2 --enable-eri2=2 \
--enable-1body=2 --enable-g12=1 \
--enable-1body-property-derivs \
--with-multipole-max-order=10 \
--with-eri-max-am=6,5,4 \
--with-eri3-max-am=12,11,10 --with-eri2-max-am=12,11,10 \
--with-max-am=6,5,4 \
--with-g12-max-am=5 --with-g12-opt-am=3 \
--with-g12dkh-max-am=5 --with-g12dkh-opt-am=3 \
--disable-unrolling --enable-generic-code --enable-contracted-ints \
--with-cxx-optflags="$OPTFLAGS" \
| tee configure.log
else
# Much smaller version to work out the packaging
../configure --enable-shared --disable-static \
--enable-eri=2 --enable-eri3=2 --enable-eri2=2 \
--with-eri-max-am=3,2,1 --with-eri-opt-am=3 \
--with-eri3-max-am=3 --with-eri2-max-am=3 \
--with-g12-max-am=2 --with-g12-opt-am=2 \
--with-g12dkh-max-am=2 --with-g12dkh-opt-am=2 \
--disable-unrolling --enable-generic-code --enable-contracted-ints \
--with-cxx-optflags="$OPTFLAGS" \
| tee configure.log
fi
# Generate the library sources
echo "Running make export, follow progress in export.log"
make export > export.log
else
echo "Found previously generated tarball."
fi
# Generate documentation
make -C doc
# Copy the generated source tarball
cp libint-${ver}.tgz ../..
# Copy the programmer's manual
cp -p doc/progman/progman.pdf ../../progman-${ver}.pdf
# Recompress with xz
cd ../..
cp -p libint-${ver}.{tgz,tar.gz}
gunzip libint-${ver}.tar.gz
xz libint-${ver}.tar

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@ -0,0 +1,23 @@
diff -up libint-2.6.0/fortran/fortran_example.F90.fexample libint-2.6.0/fortran/fortran_example.F90
--- libint-2.6.0/fortran/fortran_example.F90.fexample 2020-08-15 13:40:52.426814159 +0300
+++ libint-2.6.0/fortran/fortran_example.F90 2020-08-15 13:42:07.730617092 +0300
@@ -1,7 +1,7 @@
PROGRAM fortran_example
#include <libint2/config.h>
-#include <libint2/util/generated/libint2_params.h>
+#include "libint2_params.h"
#include "fortran_incldefs.h"
USE ISO_C_BINDING, ONLY: C_DOUBLE, C_F_POINTER, C_F_PROCPOINTER, C_NULL_PTR
@@ -86,8 +86,8 @@ PROGRAM fortran_example
am2, c2, alpha2, B, &
am3, c3, alpha3, C, &
am4, c4, alpha4, D, &
- F, deriv_order, erieval)
- CALL print_eri(am1, am2, am3, am4, erieval)
+ F, erieval)
+ CALL print_eri(am1, am2, am3, am4, deriv_order, erieval)
CALL libint2_cleanup_eri2(erieval)
#endif
#endif

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@ -0,0 +1,22 @@
diff -up libint-2.8.2/CMakeLists.txt.fedoraver libint-2.8.2/CMakeLists.txt
--- libint-2.8.2/CMakeLists.txt.fedoraver 2024-02-21 23:21:55.000000000 +0000
+++ libint-2.8.2/CMakeLists.txt 2024-02-22 09:49:10.871180865 +0000
@@ -16,7 +16,7 @@ if (LIBINT_BUILDID)
else(LIBINT_BUILDID)
set(LIBINT_EXT_VERSION ${LIBINT_VERSION})
endif(LIBINT_BUILDID)
-set(MAX_AM_ERI "") # patch here in export tarball w/highest 4-center, 0-deriv ERI AM in numbers
+set(MAX_AM_ERI "7") # patch here in export tarball w/highest 4-center, 0-deriv ERI AM in numbers
# Add module directory and modules =====================================================================================
diff -up libint-2.8.2/src/configuration.cc.cmake.in.fedoraver libint-2.8.2/src/configuration.cc.cmake.in
--- libint-2.8.2/src/configuration.cc.cmake.in.fedoraver 2024-02-21 23:21:54.000000000 +0000
+++ libint-2.8.2/src/configuration.cc.cmake.in 2024-02-22 09:50:11.307111838 +0000
@@ -23,5 +23,5 @@
@return the semicolon-separated strings from CMake components */
const char* configuration_accessor() {
// return "@Libint2_CONFIG_COMPONENTS@";
- return "(nyi)";
+ return "ss;multipole_nn_d0;multipole_mm_d0;multipole_ll_d0;multipole_kk_d0;multipole_ii_d0;multipole_hh_d0;multipole_gg_d0;multipole_ff_d0;multipole_dd_d0;onebody_kk_d0;onebody_ii_d0;onebody_hh_d0;onebody_gg_d0;onebody_ff_d0;onebody_dd_d0;onebody_kk_d1;onebody_ii_d1;onebody_hh_d1;onebody_gg_d1;onebody_ff_d1;onebody_dd_d1;onebody_hh_d2;onebody_gg_d2;onebody_ff_d2;onebody_dd_d2;eri_kkkk_d0;eri_iiii_d0;eri_hhhh_d0;eri_gggg_d0;eri_ffff_d0;eri_dddd_d0;eri_kkkk_d1;eri_iiii_d1;eri_hhhh_d1;eri_gggg_d1;eri_ffff_d1;eri_dddd_d1;eri_gggg_d2;eri_ffff_d2;eri_dddd_d2;eri_kkQ_d0;eri_kkO_d0;eri_kkN_d0;eri_kkM_d0;eri_kkL_d0;eri_kkK_d0;eri_iiQ_d0;eri_iiO_d0;eri_iiN_d0;eri_iiM_d0;eri_iiL_d0;eri_iiK_d0;eri_iiI_d0;eri_hhQ_d0;eri_hhO_d0;eri_hhN_d0;eri_hhM_d0;eri_hhL_d0;eri_hhK_d0;eri_hhI_d0;eri_hhH_d0;eri_ggQ_d0;eri_ggO_d0;eri_ggN_d0;eri_ggM_d0;eri_ggL_d0;eri_ggK_d0;eri_ggI_d0;eri_ggH_d0;eri_ggG_d0;eri_ffQ_d0;eri_ffO_d0;eri_ffN_d0;eri_ffM_d0;eri_ffL_d0;eri_ffK_d0;eri_ffI_d0;eri_ffH_d0;eri_ffG_d0;eri_ffF_d0;eri_ddQ_d0;eri_ddO_d0;eri_ddN_d0;eri_ddM_d0;eri_ddL_d0;eri_ddK_d0;eri_ddI_d0;eri_ddH_d0;eri_ddG_d0;eri_ddF_d0;eri_ddD_d0;eri_kkK_d1;eri_iiK_d1;eri_iiI_d1;eri_hhK_d1;eri_hhI_d1;eri_hhH_d1;eri_ggK_d1;eri_ggI_d1;eri_ggH_d1;eri_ggG_d1;eri_ffK_d1;eri_ffI_d1;eri_ffH_d1;eri_ffG_d1;eri_ffF_d1;eri_ddK_d1;eri_ddI_d1;eri_ddH_d1;eri_ddG_d1;eri_ddF_d1;eri_ddD_d1;eri_hhH_d2;eri_ggH_d2;eri_ggG_d2;eri_ffH_d2;eri_ffG_d2;eri_ffF_d2;eri_ddH_d2;eri_ddG_d2;eri_ddF_d2;eri_ddD_d2;eri_kkq_d0;eri_kko_d0;eri_kkn_d0;eri_kkm_d0;eri_kkl_d0;eri_kkk_d0;eri_iiq_d0;eri_iio_d0;eri_iin_d0;eri_iim_d0;eri_iil_d0;eri_iik_d0;eri_iii_d0;eri_hhq_d0;eri_hho_d0;eri_hhn_d0;eri_hhm_d0;eri_hhl_d0;eri_hhk_d0;eri_hhi_d0;eri_hhh_d0;eri_ggq_d0;eri_ggo_d0;eri_ggn_d0;eri_ggm_d0;eri_ggl_d0;eri_ggk_d0;eri_ggi_d0;eri_ggh_d0;eri_ggg_d0;eri_ffq_d0;eri_ffo_d0;eri_ffn_d0;eri_ffm_d0;eri_ffl_d0;eri_ffk_d0;eri_ffi_d0;eri_ffh_d0;eri_ffg_d0;eri_fff_d0;eri_ddq_d0;eri_ddo_d0;eri_ddn_d0;eri_ddm_d0;eri_ddl_d0;eri_ddk_d0;eri_ddi_d0;eri_ddh_d0;eri_ddg_d0;eri_ddf_d0;eri_ddd_d0;eri_kkk_d1;eri_iik_d1;eri_iii_d1;eri_hhk_d1;eri_hhi_d1;eri_hhh_d1;eri_ggk_d1;eri_ggi_d1;eri_ggh_d1;eri_ggg_d1;eri_ffk_d1;eri_ffi_d1;eri_ffh_d1;eri_ffg_d1;eri_fff_d1;eri_ddk_d1;eri_ddi_d1;eri_ddh_d1;eri_ddg_d1;eri_ddf_d1;eri_ddd_d1;eri_hhh_d2;eri_ggh_d2;eri_ggg_d2;eri_ffh_d2;eri_ffg_d2;eri_fff_d2;eri_ddh_d2;eri_ddg_d2;eri_ddf_d2;eri_ddd_d2;eri_QQ_d0;eri_OO_d0;eri_NN_d0;eri_MM_d0;eri_LL_d0;eri_KK_d0;eri_II_d0;eri_HH_d0;eri_GG_d0;eri_FF_d0;eri_DD_d0;eri_KK_d1;eri_II_d1;eri_HH_d1;eri_GG_d1;eri_FF_d1;eri_DD_d1;eri_HH_d2;eri_GG_d2;eri_FF_d2;eri_DD_d2;eri_qq_d0;eri_oo_d0;eri_nn_d0;eri_mm_d0;eri_ll_d0;eri_kk_d0;eri_ii_d0;eri_hh_d0;eri_gg_d0;eri_ff_d0;eri_dd_d0;eri_kk_d1;eri_ii_d1;eri_hh_d1;eri_gg_d1;eri_ff_d1;eri_dd_d1;eri_hh_d2;eri_gg_d2;eri_ff_d2;eri_dd_d2;g12_hhhh_d0;g12_gggg_d0;g12_ffff_d0;g12_dddd_d0;g12_hhhh_d1;g12_gggg_d1;g12_ffff_d1;g12_dddd_d1";
}

View file

@ -0,0 +1,12 @@
diff -up libint-2.9.0/CMakeLists.txt.datadir libint-2.9.0/CMakeLists.txt
--- libint-2.9.0/CMakeLists.txt.datadir 2024-08-16 18:09:07.000000000 +0000
+++ libint-2.9.0/CMakeLists.txt 2024-09-03 18:26:42.987384071 +0000
@@ -377,7 +377,7 @@ if (LIBINT_HAS_CXX_API)
target_compile_definitions(
libint2_cxx
INTERFACE
- $<INSTALL_INTERFACE:DATADIR="\$\{_IMPORT_PREFIX\}/${LIBINT2_INSTALL_DATADIR}">
+ $<INSTALL_INTERFACE:DATADIR="${LIBINT2_INSTALL_DATADIR}">
)
endif()
# Add library to the list of installed components

340
libint2.spec Normal file
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@ -0,0 +1,340 @@
# We run out of memory on the ARM builders with LTO
%ifarch %{arm}
%define _lto_cflags %{nil}
%endif
# We run out of memory on many builders since the source files are big, drop down to four threads
%define _smp_mflags -j4
# Disable x86 architectures since builders run out of memory
ExcludeArch: %{ix86}
# RPM macro directory
%global macrosdir %(d=%{_rpmconfigdir}/macros.d; [ -d $d ] || d=%{_sysconfdir}/rpm; echo $d)
# The source code the libint compiler generates is already very highly
# optimized. Further optimization done by the compiler does not
# increase performance, but it just takes a *lot* longer to compile.
# We use -O2 for the compiler and -O1 for the library (these are given
# in configure). The common flags are
%global commonflags %(echo %{optflags} | sed "s|-O2||g")
%global optflags %commonflags -O1 -fno-var-tracking-assignments
# API version provided. Increment this whenever you change the configure time flags.
%global apiversion 1
Name: libint2
Version: 2.9.0
Release: 5%{?dist}
Summary: A library for efficient evaluation of electron repulsion integrals
# Generator itself is GPLv2+, generated library packaged in Fedora is LGPLv3
License: LGPL-3.0-only
URL: https://github.com/evaleev/libint
# Compiler sources
Source0: https://github.com/evaleev/libint/archive/v%{version}.tar.gz
# The library sources, which are generated by the compiler. The
# compiler needs a rather recent C++11 compiler to build. Regardless
# of the C++ compiler used, the generated sources are
# identical. However, EPEL doesn't have a recent enough C++ compiler
# to be able to generate the sources. Also, if the sources are
# generated on the same run, debuginfo will turn up missing from the
# RPM (BZ #9619635). For this reason pregenerated sources are used. To
# generate the sources, run the generate-sources.sh script.
Source1: libint-%{version}.tar.xz
# The programmers' manual is compiled from the LaTeX source by generate-sources.sh
Source2: progman-%{version}.pdf
# The source tarball generator does not introduce all info in the CMake config for now, this patches in the missing info
Patch0: libint-2.8.2-fedoraver.patch
# Fix location of data directory in generated CMake config
Patch1: libint-2.9.0-datadir.patch
Provides: libint2(api)%{?_isa} = %{apiversion}
BuildRequires: gcc-c++
BuildRequires: gcc-gfortran
BuildRequires: boost-devel
BuildRequires: mpfr-devel
BuildRequires: python3-devel
BuildRequires: make
BuildRequires: cmake
BuildRequires: eigen3-devel
BuildRequires: pybind11-devel
%description
LIBINT computes the Coulomb and exchange integrals, which in electronic
structure theory are called electron repulsion integrals (ERIs). This is by
far the most common type of integrals in molecular structure theory.
LIBINT uses recursive schemes that originate in seminal Obara-Saika method and
Head-Gordon and Poples variation thereof. The idea of LIBINT is to optimize
computer implementation of such methods by implementing an optimizing compiler
to generate automatically highly-specialized code that runs well on
super-scalar architectures.
%package data
Summary: Shared data for libint2
Requires: libint2 = %{version}-%{release}
BuildArch: noarch
%description data
This package contains shared data for libint2.
%package doc
Summary: Documentation for libint2
Requires: libint2 = %{version}-%{release}
BuildArch: noarch
%description doc
This package contains a programmer's manual and doxygen documentation
for the classes.
%package devel
Summary: Development headers and libraries for libint2
Requires: libint2%{?_isa} = %{version}-%{release}
# For dir ownership
Requires: cmake
# Dependencies for compiling code
Requires: boost-devel
Requires: eigen3-devel
Requires: gmp-devel
Requires: mpfr-devel
%description devel
This package contains development headers and libraries for libint2.
%prep
%setup -q -T -b 1 -n libint-%{version}
%patch 0 -p1 -b .fedora
# Copy programmers manual
cp -p %{SOURCE2} doc/progman.pdf
%build
export CXX=g++
%cmake -DENABLE_FORTRAN=ON -DENABLE_MPFR=ON -DLIBINT2_PYTHON=ON -DLIBINT2_INSTALL_LIBDIR=%{_libdir} -DLIBINT2_INSTALL_DATADIR=%{_datadir}/%{name} -DLIBINT2_INSTALL_CMAKEDIR=%{_libdir}/cmake/%{name}
%cmake_build
%install
%cmake_install
find %{buildroot} -name *.la -delete
# Make sure libraries are executable (otherwise they are not stripped)
find %{buildroot} -name *.so* -exec chmod 755 {} \;
# Create macro file
mkdir -p %{buildroot}%{macrosdir}
cat > %{buildroot}%{macrosdir}/macros.libint2 << EOF
# Current version of libint2 is
%_libint2_apiversion %{apiversion}
EOF
# Move module file to the correct location
mkdir -p %{buildroot}%{_fmoddir}
mv %{buildroot}%{_includedir}/libint_f.mod %{buildroot}%{_fmoddir}/
%ldconfig_scriptlets
%files
%doc LICENSE COPYING
%{_libdir}/libint2.so.2
%{_libdir}/libint2.so.%{version}
%files data
%{_datadir}/libint2/
%files doc
%doc doc/progman.pdf
%files devel
%{macrosdir}/macros.libint2
%{_libdir}/cmake/libint2/
%{_includedir}/libint2/
%{_includedir}/libint2.h
%{_includedir}/libint2.hpp
%{_libdir}/pkgconfig/libint2.pc
%{_fmoddir}/libint_f.mod
%{_libdir}/libint2.so
%changelog
* Thu Jul 24 2025 Fedora Release Engineering <releng@fedoraproject.org> - 2.9.0-5
- Rebuilt for https://fedoraproject.org/wiki/Fedora_43_Mass_Rebuild
* Fri Jan 17 2025 Fedora Release Engineering <releng@fedoraproject.org> - 2.9.0-4
- Rebuilt for https://fedoraproject.org/wiki/Fedora_42_Mass_Rebuild
* Tue Sep 03 2024 Susi Lehtola <jussilehtola@fedoraproject.org> 2.9.0-3
- Fix location of data directory in generated CMake config.
* Tue Sep 03 2024 Susi Lehtola <jussilehtola@fedoraproject.org> 2.9.0-2
- Devel package now pulls in boost, eigen3, gmp, and mpfr development
packages that are needed to build against libint2.
* Sun Aug 18 2024 Susi Lehtola <jussilehtola@fedoraproject.org> 2.9.0-1
- Disable build on i386 architecture where the build runs out of memory.
- Update license tag to LGPL-3.0-only (generated library).
- Update to 2.9.0.
* Fri Jul 26 2024 Miroslav Suchý <msuchy@redhat.com> - 2.8.2-3
- convert license to SPDX
* Thu Jul 18 2024 Fedora Release Engineering <releng@fedoraproject.org> - 2.8.2-2
- Rebuilt for https://fedoraproject.org/wiki/Fedora_41_Mass_Rebuild
* Wed Feb 21 2024 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.8.2-1
- Update to 2.8.2.
* Thu Jan 25 2024 Fedora Release Engineering <releng@fedoraproject.org> - 2.6.0-17
- Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild
* Sun Jan 21 2024 Fedora Release Engineering <releng@fedoraproject.org> - 2.6.0-16
- Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild
* Thu Jul 20 2023 Fedora Release Engineering <releng@fedoraproject.org> - 2.6.0-15
- Rebuilt for https://fedoraproject.org/wiki/Fedora_39_Mass_Rebuild
* Thu Jan 19 2023 Fedora Release Engineering <releng@fedoraproject.org> - 2.6.0-14
- Rebuilt for https://fedoraproject.org/wiki/Fedora_38_Mass_Rebuild
* Thu Jul 21 2022 Fedora Release Engineering <releng@fedoraproject.org> - 2.6.0-13
- Rebuilt for https://fedoraproject.org/wiki/Fedora_37_Mass_Rebuild
* Thu Jan 20 2022 Fedora Release Engineering <releng@fedoraproject.org> - 2.6.0-12
- Rebuilt for https://fedoraproject.org/wiki/Fedora_36_Mass_Rebuild
* Thu Jul 22 2021 Fedora Release Engineering <releng@fedoraproject.org> - 2.6.0-11
- Rebuilt for https://fedoraproject.org/wiki/Fedora_35_Mass_Rebuild
* Sun Feb 21 2021 Jeff Law <law@redhat.com> - 2.6.0-10
- Disable LTO on arm
* Tue Jan 26 2021 Fedora Release Engineering <releng@fedoraproject.org> - 2.6.0-9
- Rebuilt for https://fedoraproject.org/wiki/Fedora_34_Mass_Rebuild
* Tue Oct 20 2020 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.6.0-8
- Add BR: python3-devel.
* Tue Sep 29 2020 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.6.0-7
- Disable buggy Eigen3 support until 2.7.0 is released.
* Sun Aug 16 2020 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.6.0-6
- Enable Eigen3 support in build.
* Fri Aug 14 2020 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.6.0-5
- Enable Fortran bindings.
* Sat Aug 01 2020 Fedora Release Engineering <releng@fedoraproject.org> - 2.6.0-4
- Second attempt - Rebuilt for
https://fedoraproject.org/wiki/Fedora_33_Mass_Rebuild
* Tue Jul 28 2020 Fedora Release Engineering <releng@fedoraproject.org> - 2.6.0-3
- Rebuilt for https://fedoraproject.org/wiki/Fedora_33_Mass_Rebuild
* Wed Jan 29 2020 Fedora Release Engineering <releng@fedoraproject.org> - 2.6.0-2
- Rebuilt for https://fedoraproject.org/wiki/Fedora_32_Mass_Rebuild
* Fri Aug 02 2019 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.6.0-1
- Update to 2.6.0.
* Thu Jul 25 2019 Fedora Release Engineering <releng@fedoraproject.org> - 2.1.0-10
- Rebuilt for https://fedoraproject.org/wiki/Fedora_31_Mass_Rebuild
* Fri Feb 01 2019 Fedora Release Engineering <releng@fedoraproject.org> - 2.1.0-9
- Rebuilt for https://fedoraproject.org/wiki/Fedora_30_Mass_Rebuild
* Fri Jul 13 2018 Fedora Release Engineering <releng@fedoraproject.org> - 2.1.0-8
- Rebuilt for https://fedoraproject.org/wiki/Fedora_29_Mass_Rebuild
* Wed Feb 07 2018 Fedora Release Engineering <releng@fedoraproject.org> - 2.1.0-7
- Rebuilt for https://fedoraproject.org/wiki/Fedora_28_Mass_Rebuild
* Thu Aug 03 2017 Fedora Release Engineering <releng@fedoraproject.org> - 2.1.0-6
- Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Binutils_Mass_Rebuild
* Wed Jul 26 2017 Fedora Release Engineering <releng@fedoraproject.org> - 2.1.0-5
- Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Mass_Rebuild
* Mon May 15 2017 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 2.1.0-4
- Rebuilt for https://fedoraproject.org/wiki/Fedora_26_27_Mass_Rebuild
* Fri Feb 10 2017 Fedora Release Engineering <releng@fedoraproject.org> - 2.1.0-3
- Rebuilt for https://fedoraproject.org/wiki/Fedora_26_Mass_Rebuild
* Fri Jan 27 2017 Jonathan Wakely <jwakely@redhat.com> - 2.1.0-2
- Rebuilt for Boost 1.63
* Sun Jul 10 2016 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.1.0-1
- Update to 2.1.0.
* Fri Jul 08 2016 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.0.3-17.644hg
- Use pregenerated programmer's manual when not bootstrapping.
* Thu Feb 04 2016 Fedora Release Engineering <releng@fedoraproject.org> - 2.0.3-16.644hg
- Rebuilt for https://fedoraproject.org/wiki/Fedora_24_Mass_Rebuild
* Fri Jan 15 2016 Jonathan Wakely <jwakely@redhat.com> - 2.0.3-15.644hg
- Rebuilt for Boost 1.60
* Thu Aug 27 2015 Jonathan Wakely <jwakely@redhat.com> - 2.0.3-14.644hg
- Rebuilt for Boost 1.59
* Wed Jul 29 2015 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 2.0.3-13.644hg
- Rebuilt for https://fedoraproject.org/wiki/Changes/F23Boost159
* Wed Jul 22 2015 David Tardon <dtardon@redhat.com> - 2.0.3-12.644hg
- rebuild for Boost 1.58
* Wed Jun 17 2015 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 2.0.3-11.644hg
- Rebuilt for https://fedoraproject.org/wiki/Fedora_23_Mass_Rebuild
* Sat May 02 2015 Kalev Lember <kalevlember@gmail.com> - 2.0.3-10.644hg
- Rebuilt for GCC 5 C++11 ABI change
* Tue Jan 27 2015 Petr Machata <pmachata@redhat.com> - 2.0.3-9.644hg
- Rebuild for boost 1.57.0
* Tue Sep 09 2014 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.0.3-8.644hg
- Provide libint2(api) and rpm macro.
* Sun Aug 17 2014 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 2.0.3-7.644hg
- Rebuilt for https://fedoraproject.org/wiki/Fedora_21_22_Mass_Rebuild
* Sat Jun 07 2014 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 2.0.3-6.644hg
- Rebuilt for https://fedoraproject.org/wiki/Fedora_21_Mass_Rebuild
* Fri May 23 2014 Petr Machata <pmachata@redhat.com> - 2.0.3-5.644hg
- Rebuild for boost 1.55.0
* Sat Aug 03 2013 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 2.0.3-4.644hg
- Rebuilt for https://fedoraproject.org/wiki/Fedora_20_Mass_Rebuild
* Tue Jul 30 2013 Petr Machata <pmachata@redhat.com> - 2.0.3-3.644hg
- Rebuild for boost 1.54.0
* Thu Jul 11 2013 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.0.3-1.644hg
- Use xz to compress tarballs (BZ #979817).
- Update to revision 644.
* Tue May 21 2013 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.0.3-2.641hg
- Reduce maximum angular momentum for derivative ERIs, since 2nd derivatives of
(kk|kk) takes more than 2 GB of RAM.
- Enabled g12 and g12dkh integrals.
* Thu May 16 2013 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.0.3-1.641hg
- Use pregenerated tarballs only on EPEL.
* Sun May 12 2013 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.0.2-2.618hg
- Switch to using a pregenerated tarball of library sources instead of
rerunning compiler for each build, solving BZ #961963.
* Thu May 09 2013 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.0.2-1.615hg
- Update to hg snapshot 615 (version 2.0.2), fixing FTBFS on rawhide.
- Added possibility to run tests, but not by default since running them
takes *eons*.
* Mon May 06 2013 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.0.0-3.607hg
- Explicitly arched requires in -devel package.
* Mon Feb 18 2013 Dominik Mierzejewski <rpm@greysector.net> - 2.0.0-2.607hg
- Add missing tex build dependencies
- Fix devel subpackage dependencies
* Wed Jan 23 2013 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.0.0-1.607hg
- First release.

3
sources Normal file
View file

@ -0,0 +1,3 @@
SHA512 (v2.9.0.tar.gz) = 6cffbd3d78dee4722b8085f4dd93085351cb610b5cb7ac090335adb2c43e87256ca06a658c202473fd763a38f7c0eeb6570b2c6a107e3f41d1258baf6e5b17de
SHA512 (progman-2.9.0.pdf) = 2eb6728e69ac3b395bf39c994f99fd937adf2a0ea7a5664b2e9313d00f4cd4c13a0eabc35c978bd6756938065a870c6bf88544c63bf6cb07c0862438413a8772
SHA512 (libint-2.9.0.tar.xz) = 5bfeb16c5123f277481922f4894e79f75fe923c90b0a4440b55881b9f270a53b5a91cba569a3b25e2aeaa142688e7454d13608c1f5673f5843b7605fb07bd7b2