Package Details: libxc 6.2.2-1

Git Clone URL: https://aur.archlinux.org/libxc.git (read-only, click to copy)
Package Base: libxc
Description: A library of exchange-correlation functionals for density-functional theory
Upstream URL: https://www.tddft.org/programs/libxc
Licenses: MPL2
Submitter: jspencer
Maintainer: carlosal1015 (petronny, AutoUpdateBot)
Last Packager: carlosal1015
Votes: 10
Popularity: 0.000002
First Submitted: 2012-04-13 01:45 (UTC)
Last Updated: 2023-06-15 17:28 (UTC)

Latest Comments

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brainandforce commented on 2023-02-14 22:04 (UTC)

I've found that downloading the tarball from the TDDFT website is currently broken, and installation will fail. Would it be possible to switch the source to a GitLab release (https://gitlab.com/libxc/libxc/-/archive/6.1.0/libxc-6.1.0.tar.gz for the current version) to avoid this issue?

petronny commented on 2022-08-17 13:38 (UTC) (edited on 2022-08-17 13:39 (UTC) by petronny)

Please add cmake in makedepends.

==> Starting build()...
/startdir/PKGBUILD: line 18: cmake: command not found
==> ERROR: A failure occurred in build().

Full build log: https://github.com/arch4edu/cactus/runs/7879727710?check_suite_focus=true

And for python-numpy, I think it should be a dependency to also install the python bindings.

a.kudelin commented on 2022-02-05 17:30 (UTC)

Hello,

Please update PKGBUILD with:

# Maintainer: James Spencer <james.s.spencer@gmail.com>

pkgname=libxc
pkgver=5.2.2
pkgrel=1
pkgdesc="A library of exchange-correlation functionals for density-functional theory"
arch=('i686' 'x86_64' 'aarch64')
url="https://www.tddft.org/programs/libxc"
license=('MPL2')
depends=('python-numpy')
makedepends=('gcc-fortran' 'cmake')
source=(http://www.tddft.org/programs/$pkgname/down.php?file=$pkgver/$pkgname-$pkgver.tar.gz)
sha256sums=('303c4608f2d75d860d2c599125df4eb5391784166f59704bf49081e5aad5fed8')
options=(staticlibs)

build() {
  mkdir "$srcdir/build"
  cd "$srcdir/build"
  cmake $srcdir/$pkgname-$pkgver \
        -DCMAKE_INSTALL_PREFIX=/usr \
        -DBUILD_SHARED_LIBS=ON \
        -DENABLE_FORTRAN=ON \
        -DENABLE_PYTHON=ON
  make
}

check() {
  cd "$srcdir/build"
  ctest
}

package() {
  cd "$srcdir/build"
  make DESTDIR="$pkgdir/" install
}

jspencer commented on 2021-09-03 12:06 (UTC)

Sorry for the delay. Done.

a.kudelin commented on 2021-07-31 17:58 (UTC)

Hi, sorry for bothering you again but I have tested the package with aarch64 and it works well. Could you please consider adding this architecture to x86_64 and i686?

jspencer commented on 2021-07-16 17:00 (UTC)

Agree, the time has come. Sorry, meant to do this a while ago when packages had settled down to the new API.

a.kudelin commented on 2021-07-05 09:37 (UTC)

Hi @jspencer
Could you please update the library to 5.1.5?
It seems most of dependent programs have already switched to the new API.

jspencer commented on 2020-05-10 10:38 (UTC)

I've been slightly reluctant to upgrade libxc to 5.0 because it introduces API changes which break several downstream packages (e.g. pyscf's latest release doesn't support libxc5, though this was fixed in the git repository a few days ago).

a.kudelin commented on 2019-12-12 08:03 (UTC)

Thank you!