Package Details: libxc 5.1.5-2

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: jspencer
Last Packager: jspencer
Votes: 9
Popularity: 0.153723
First Submitted: 2012-04-13 01:45 (UTC)
Last Updated: 2021-09-03 12:06 (UTC)

Latest Comments

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!

jspencer commented on 2019-12-11 22:20 (UTC)

Thanks! I didn't spot that psi4 had switched to using upstream libxc. I've updated the PGKBUILD to use cmake (only minor changes from your version). Thanks for the suggestion and code!

a.kudelin commented on 2019-12-11 19:21 (UTC)

The current package provides no cmake files which are required for psi4 to be built without tricks.

jspencer commented on 2019-12-10 22:44 (UTC)

Could you explain what the problems you had with the current version? As far as I can tell, the current version also produces Fortran and Fortran 2003 libraries and static and shared libraries. Could you also say (if its public) what project you're working on or code you're trying to link libxc to?

a.kudelin commented on 2019-12-10 11:39 (UTC) (edited on 2019-12-10 11:39 (UTC) by a.kudelin)

Dear Mr. Spencer,

I have your PKGBUILD refactored to make a project I'm currently working at linkable with LIBXC:
https://pastebin.com/9sdXvJX9
Could you please review my changes and consider adding them to AUR?

a.kudelin commented on 2019-10-16 14:39 (UTC)

Download link should be updated: http://www.tddft.org/programs/libxc/down.php?file=4.3.4/libxc-4.3.4.tar.gz

jspencer commented on 2019-05-25 10:00 (UTC)

Thanks! I had missed the license change in the changelog last year.

a.kudelin commented on 2019-05-23 20:04 (UTC)

License has been changed to MPL2.

jspencer commented on 2018-05-24 21:57 (UTC)

So it has -- the files in the tarball have modified dates after the 4.0.4 was released. It looks like they've redone the website and releases. I'll update to the latest version...

simonp commented on 2018-05-24 20:41 (UTC)

Seems the sha1sum has changed: d213b44cdf4feb0204efba52005afb7c7648b03d libxc-4.0.4.tar.gz

jspencer commented on 2017-01-04 21:27 (UTC)

Compiling gpaw is somewhat out of scope for the libxc package but the issue is with gpaw -- it hardcodes (in config.py) the python library and the assumption it uses for the naming scheme is no longer valid for python 3 (see https://www.python.org/dev/peps/pep-3149/ for details). gpaw should instead use sysconfig.get_config_var('LDLIBRARY'). This can be done for earlier versions of python using distutils.sysconfig as well.

pandascience commented on 2017-01-04 12:30 (UTC)

The linker looks for a file libpython3.5.so which is not present in /usr/lib. I had only the following libraries available: /usr/lib/libpython2.7.so.1.0 /usr/lib/libpython3.5m.so -> libpython3.5m.so.1.0 /usr/lib/libpython3.5m.so.1.0 /usr/lib/libpython3.so You can make it work by creating a soft link like this: ln -s /usr/lib/libpython3.5m.so /usr/lib/libpython3.5.so It's not a very clean solution however. Maybe someone can comment on why the python2 libs are named using major+minor version while the python3 is not.

jspencer commented on 2016-10-01 19:17 (UTC)

I've added the shared libraries (--enable-shared) rather than adding --with-pic.-- gpaw installation for me now fails due to linking to python 3.5 but I don't have any experience with gpaw compilation. Could you test? Thanks.

hcar commented on 2016-09-28 08:47 (UTC)

Can you please add the --with-pic option to ./configure? Otherwise the installation of gpaw fails.

jspencer commented on 2016-02-15 20:43 (UTC)

'Updated' to 2.2.2. Note: this is actually the same as 2.1.2 except that the Fortran library is split out but it keeps getting flagged as out of date..

sctincman commented on 2014-02-24 16:49 (UTC)

No problem, thanks for updating&maintaining this :D

jspencer commented on 2014-02-23 22:37 (UTC)

Oops. I understand now. Thanks. Not sure how this worked before...

jspencer commented on 2014-02-23 22:17 (UTC)

Thanks. Got a link for that information? I couldn't see it anywhere online. I don't use octopus though...

sctincman commented on 2014-02-23 21:59 (UTC)

Just a heads up: in order to build Octopus this package needs the static library and libtool files included, which requires "options=(libtool static-libs)" in the PKGBUILD to do so.

jspencer commented on 2013-06-19 19:46 (UTC)

Hi, Thanks for pointing this out. The issue is better fixed with using the correct CPPFLAGS. I've updated the PKGBUILD accordingly. I've just noticed that there's a new version (2.0.1) of libxc out. I'll upload this shortly.

skiwi commented on 2013-06-19 14:18 (UTC)

Hi, to build the last version I had to edit the source and remove the C-style comments from the fortran file: src/libxc-1.2.0/src/libxc.f90 comment out/remove lines 4-40 Then use 'makepkg -se' (-e prevents extracting) Thanks for maintaining this package.