Package Details: libint2 2.6.0-2

Git Clone URL: https://aur.archlinux.org/libint2.git (read-only, click to copy)
Package Base: libint2
Description: A high-performance library for computing Gaussian integrals in quantum mechanics
Upstream URL: https://github.com/evaleev/libint
Keywords: basis chemistry electron evaluation gaussian integral quantum repulsion
Licenses: GPL
Submitter: aoleynichenko
Maintainer: dviktor
Last Packager: dviktor
Votes: 3
Popularity: 0.047221
First Submitted: 2017-01-23 15:49
Last Updated: 2020-01-20 14:48

Latest Comments

releddev commented on 2020-07-14 15:41

@chn Ah thanks, this has worked for me!

chn commented on 2020-07-14 07:31

@releddev I mean modify PKGBUILD file with export CC=gcc-8 and so on at about line 41.

releddev commented on 2020-07-13 17:40

@chn im experiencing the same error like you even after setting the environment variables as you've suggested. Any idea why that could be? I've checked the variables were set with printenv before makepkg -i and after installing gcc8 and fortran8.

dviktor commented on 2020-05-26 20:10

@chn it looks like a regression with gfortran>=10. Let's continue discussion in issue thread on GitHub. As for now building with GCC8 is recommended

chn commented on 2020-05-26 15:36

@diviktor Thank you for your suggestion about MAKEFLAGS.

This is the error when running makepkg -si, which seems caused in make install

==> 正在进入 fakeroot 环境...
==> 正在开始 package()...
/usr/bin/install -c -d -m 0755 /home/chn/Desktop/libint2/pkg/libint2/usr/include/libint2
/usr/bin/install -c -d -m 0755 /home/chn/Desktop/libint2/pkg/libint2/usr/lib
/usr/bin/install -c -d -m 0755 /home/chn/Desktop/libint2/pkg/libint2/usr/lib/pkgconfig
/usr/bin/install -c -m 0644 /home/chn/Desktop/libint2/src/build/libint-2.6.0/./include/libint2.h /home/chn/Desktop/libint2/pkg/libint2/usr/include
/bin/sh   ./libtool --quiet --mode=install --tag=CXX /usr/bin/install -c -m 0644 lib/libint2.la /home/chn/Desktop/libint2/pkg/libint2/usr/lib
/usr/bin/install -c -d -m 0755 /home/chn/Desktop/libint2/pkg/libint2/usr/lib/cmake/libint2
/usr/bin/install -c -m 0644 ./libint2.pc /home/chn/Desktop/libint2/pkg/libint2/usr/lib/pkgconfig
/usr/bin/install -c -m 0644 /home/chn/Desktop/libint2/src/build/libint-2.6.0/./include/libint2.hpp /home/chn/Desktop/libint2/pkg/libint2/usr/include
/usr/bin/install -c -m 0644 /home/chn/Desktop/libint2/src/build/libint-2.6.0/./FindLibint2.cmake /home/chn/Desktop/libint2/pkg/libint2/usr/lib/cmake/libint2
/usr/bin/install -c -d -m 0755 /home/chn/Desktop/libint2/pkg/libint2/usr/share/libint/2.6.0/basis
/usr/bin/install -c -m 0644 /home/chn/Desktop/libint2/src/build/libint-2.6.0/./include/libint2/*.h /home/chn/Desktop/libint2/pkg/libint2/usr/include/libint2
(cd fortran && make) || exit 1
/usr/bin/install -c -m 0644 /home/chn/Desktop/libint2/src/build/libint-2.6.0/./lib/basis/* /home/chn/Desktop/libint2/pkg/libint2/usr/share/libint/2.6.0/basis
make[1]: 警告: jobserver 不可用: 正使用 -j1。添加 “+” 到父 make 的规则。
make[1]: 进入目录“/home/chn/Desktop/libint2/src/build/libint-2.6.0/fortran”
g++ -E -DHAVE_CONFIG_H -D__COMPILING_LIBINT2=1 -D__COMPILING_LIBINT2=1 -I../include -I..//include -D_FORTIFY_SOURCE=2 -I/usr/include -march=x86-64 -mtune=generic -O2 -pipe -fno-plt -mfma -march=x86-64 -mtune=generic -O2 -pipe -fno-plt -mfma  ../include/libint2.h > ../include/libint2.h.i
/usr/bin/install -c -m 0644 /home/chn/Desktop/libint2/src/build/libint-2.6.0/./include/libint2_*.h /home/chn/Desktop/libint2/pkg/libint2/usr/include/libint2
/usr/bin/install -c -m 0644 ./include/libint2/config.h /home/chn/Desktop/libint2/pkg/libint2/usr/include/libint2
/usr/bin/install -c -d -m 0755 /home/chn/Desktop/libint2/pkg/libint2/usr/include/libint2/chemistry
/usr/bin/install -c -m 0644 /home/chn/Desktop/libint2/src/build/libint-2.6.0/./include/libint2/chemistry/*.h /home/chn/Desktop/libint2/pkg/libint2/usr/include/libint2/chemistry
/usr/bin/install -c -d -m 0755 /home/chn/Desktop/libint2/pkg/libint2/usr/include/libint2/lcao
/usr/bin/install -c -m 0644 /home/chn/Desktop/libint2/src/build/libint-2.6.0/./include/libint2/lcao/*.h /home/chn/Desktop/libint2/pkg/libint2/usr/include/libint2/lcao
/usr/bin/install -c -d -m 0755 /home/chn/Desktop/libint2/pkg/libint2/usr/include/libint2/util
/usr/bin/install -c -m 0644 /home/chn/Desktop/libint2/src/build/libint-2.6.0/./include/libint2/util/*.h /home/chn/Desktop/libint2/pkg/libint2/usr/include/libint2/util
/usr/bin/install -c -d -m 0755 /home/chn/Desktop/libint2/pkg/libint2/usr/include/libint2/util/generated
/usr/bin/install -c -m 0644 /home/chn/Desktop/libint2/src/build/libint-2.6.0/./include/libint2/util/generated/*.h /home/chn/Desktop/libint2/pkg/libint2/usr/include/libint2/util/generated
if test "X1" = "X0"; then `gunzip -c /home/chn/Desktop/libint2/src/build/libint-2.6.0/./external/boost.tar.gz | tar -xf - -C /home/chn/Desktop/libint2/pkg/libint2/usr/include/libint2`; fi
python c_to_f.py ../include/libint2.h.i libint2_types_f.h Libint_t
grep '^#' ../include/libint2_types.h | grep -v '#include' > fortran_incldefs.h
FC libint_f.o
../include/libint2/util/generated/libint2_params.h:29:0:

   29 | #    if __has_include(<libint2_params.h>)
      | 
错误: missing '(' before "__has_include" operand
../include/libint2/util/generated/libint2_params.h:29:0: 错误: operator "__has_include" requires a header-name
make[1]: *** [../MakeSuffixRules:12:libint_f.o] 错误 1
make[1]: 离开目录“/home/chn/Desktop/libint2/src/build/libint-2.6.0/fortran”
make: *** [Makefile:38:fortran] 错误 1
make: *** 正在等待未完成的任务....
libtool: warning: remember to run 'libtool --finish /usr/lib'
==> 错误: 在 package() 中发生一个错误。
    正在放弃...

("错误" in Chinese means "error".)

dviktor commented on 2020-05-26 12:20

@chn could you please provide more info about error messages? Also you shouldn't set -jX flag manually - be sure that you have proper MAKEFLAGS set in /etc/makepkg.conf - makepkg honors them

chn commented on 2020-05-26 05:45

Hi,

The package will build failed with the last gcc (version 10). After switch to gcc-8, it works fine.

export CC=gcc-8
export CXX=g++-8
export FC=gfortran-8

What is more, building could take much less time with -j $ncore. In the last lines of build():

ncore=$(cat /proc/cpuinfo| grep "processor"| wc -l)
make -j $ncore

dviktor commented on 2020-01-20 14:48

Done

a.kudelin commented on 2020-01-19 19:48

Hi,

Please, look at the re-written PKGBUILD compatible with CP2K 7.1.0 and a patch for it:
https://pastebin.com/LeNb0epk
https://pastebin.com/R48pgEnG
Checksums of the last one may differ from those specified in PKGBUILD, ofc. After you check and, I hope, updating the current libint2, I'd like to upload files for CP2K.