Package Details: abinit 9.8.2-1

Git Clone URL: https://aur.archlinux.org/abinit.git (read-only, click to copy)
Package Base: abinit
Description: Full-featured atomic-scale first-principles simulation software.
Upstream URL: https://www.abinit.org/
Licenses: GPLv3
Submitter: None
Maintainer: Xyne (corvus_albus)
Last Packager: Xyne
Votes: 4
Popularity: 0.000000
First Submitted: 2009-12-18 07:23 (UTC)
Last Updated: 2023-01-29 22:14 (UTC)

Latest Comments

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petronny commented on 2022-09-05 10:23 (UTC) (edited on 2022-09-13 10:11 (UTC) by petronny)

Adding

FCFLAGS_EXTRA="-fallow-argument-mismatch -ffree-line-length-none" \
FC_LDFLAGS_EXTRA="-fopenmp" \

fixes the build.

Tested with extra-x86_64-build -- -I libxc-5.2.3-1-x86_64.pkg.tar.zst.

amateur commented on 2022-08-17 16:33 (UTC)

I am unable to compile abinit...

I tried adding the -w -fallow-mismatch flags

Xyne commented on 2021-07-06 03:05 (UTC) (edited on 2021-07-06 03:12 (UTC) by Xyne)

This is the same package as abinit. If you want to contribute, I can add you as a co-maintainer on that package.

(edit: merged from abinit-dev and added corvus_albus as co-maintainer)

benx45h commented on 2021-04-15 16:13 (UTC)

Compilation fails with mkl_dfti.f90: No such file or directory

Xyne commented on 2020-07-26 16:06 (UTC)

Sorry for the delay. It should be fixed now.

dsche-cyber commented on 2020-06-24 06:53 (UTC) (edited on 2020-06-24 09:16 (UTC) by dsche-cyber)

Package doesn't build:

  151 |     call zpotrf(uplo,n,a,lda,info)
      |                       1
......
  196 |  call zpotrf(uplo,n,a,lda,info)
      |                    2   
Error: Type mismatch between actual argument at (1) and actual argument at         (2) (REAL(8)/COMPLEX(8)).
abi_xhpgv.f90:68:33:

   68 |     call zhpgv(itype,jobz,uplo,n,a,b,w,z,ldz,work,rwork,info)
      |                                 1
......
  341 |  call zhpgv(itype,jobz,uplo,n,a,b,w,z,ldz,work,rwork,info)
      |                              2   
Error: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)).
abi_xhpev.f90:68:27:

   68 |     call zhpev(jobz,uplo,n,a,w,z,ldz,work,rwork,info)
      |                           1
......
  340 |  call zhpev(jobz,uplo,n,a,w,z,ldz,work,rwork,info)
      |                        2

THEN a lot of other stuff and finally:

Error: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)).
make[3]: *** [Makefile:1007: m_hide_lapack.o] Error 1
make[3]: Leaving directory '/home/dsche/builds/abinit/src/abinit-8.10.3/src/28_numeric_noabirule'
make[2]: *** [Makefile:934: all-recursive] Error 1
make[2]: Leaving directory '/home/dsche/builds/abinit/src/abinit-8.10.3/src'
make[1]: *** [Makefile:2323: all-recursive] Error 1
make[1]: Leaving directory '/home/dsche/builds/abinit/src/abinit-8.10.3'
make: *** [Makefile:2252: all] Error 2
==> ERROR: A failure occurred in build().
    Aborting...

Can somebody help?

PS: abinit-dev works fine. maybe you could compare the PKGBUILDs to solve...

Xyne commented on 2018-09-08 15:46 (UTC)

@hzhangxyz I've removed the atompaw dependency.

hzhangxyz commented on 2018-08-18 10:10 (UTC) (edited on 2018-08-18 10:22 (UTC) by hzhangxyz)

does it really need atompaw? it seems not?

you didn't add something like --with-atompaw-bins ?

Xyne commented on 2018-06-03 18:21 (UTC) (edited on 2018-06-03 19:26 (UTC) by Xyne)

I'm trying to update to version 8.8.2 but the build fails with an "assignment to contiguous pointer from non-contiguous target" error. I get the same error with 8.8.1. Does anyone have any suggestions? I have opened a thread on the abinit forum to try to resolve this: https://forum.abinit.org/viewtopic.php?f=17&t=3860

Here's the PKGBUILD that produces the error:

# Contributor: Ed Sandberg <scarypezsanta@gmail.com>
# Maintainer: Xyne

pkgname=abinit
pkgver=8.8.2
pkgrel=1
pkgdesc="Full-featured atomic-scale first-principles simulation software."
arch=('i686' 'x86_64')
url="https://www.abinit.org/"
license=('GPLv3')
depends=('lapack' 'blas' 'openmpi' 'atompaw')
makedepends=('gcc-fortran' 'perl')
source=(
  "https://www.abinit.org/sites/default/files/packages/$pkgname-$pkgver.tar.gz"
)

build() {
  cd -- "$srcdir/$pkgname-$pkgver"
  ./configure --prefix=/usr #--disable-all-plugins
  make #-j $(($(nproc) + 1))
}

package() {
  cd -- "$srcdir/$pkgname-$pkgver"
  make DESTDIR="$pkgdir" install
}

sha512sums=('dcd402d49c5f4b42f4345d498445d222958e3d584334347a1e378a2c1c368c2d1d35f17b1474ec57a3035e8fbb9dd4bc737cd95e018a05d4698cc8b3639cc936')