Package Details: abinit 9.6.2-1

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: corvus_albus
Votes: 4
Popularity: 0.000000
First Submitted: 2009-12-18 07:23 (UTC)
Last Updated: 2021-12-22 19:00 (UTC)

Latest Comments

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')

Xyne commented on 2017-09-09 03:11 (UTC)

Switching to HTTPS allowed me to access the site. I find it strange that I wasn't redirected automatically. Anyway, the package has been updated.

rogphys commented on 2017-09-08 12:28 (UTC)

Thanks for the great work. Perhaps switching from http to https will fix your access problem to www.abinit.org.

Xyne commented on 2017-09-06 21:10 (UTC)

Upstream's website is timing out for me right now. I will update at soon as I can access it again.

Xyne commented on 2013-09-17 15:23 (UTC)

The package compiles with the latest upstream release.

Xyne commented on 2013-05-18 11:39 (UTC)

I am unable to compile the current package and cannot spend any more time on it right now. I have not found anything on the upstream forum that would help either. It seems to be a simple linker error but I am not sure what it is expecting. If someone finds a solution, please let me know. I will orphan the package if someone with more time or better understanding of the package wishes to maintain it, otherwise I will try to fix this when I have more time. Sorry.

commented on 2013-05-16 14:36 (UTC)

Doesn't compile here :( also tried to download new version and compile by hand, but same error: ../../src/11_memory_mpi/lib11_memory_mpi.a(m_profiling.o):/home/mh/bulids/abinit-7.2.1/src/11_memory_mpi/m_profiling.F90:133: first defined here /home/mh/bulids/abinit-7.2.1/fallbacks/exports/lib/libabinit.a(m_profiling.o): In function `__m_profiling_MOD_memocc_set_state': /home/mh/bulids/abinit-7.2.1/fallbacks/sources/bigdft-abi-1.0.4/libABINIT/src/18_memory/m_profiling.F90:71: multiple definition of `__m_profiling_MOD_memocc_set_state' ../../src/11_memory_mpi/lib11_memory_mpi.a(m_profiling.o):/home/mh/bulids/abinit-7.2.1/src/11_memory_mpi/m_profiling.F90:83: first defined here collect2: Fehler: ld gab 1 als Ende-Status zurück make[3]: *** [abinit] Fehler 1 make[3]: Leaving directory `/home/mh/bulids/abinit-7.2.1/src/98_main' make[2]: *** [all-recursive] Fehler 1 make[2]: Leaving directory `/home/mh/bulids/abinit-7.2.1/src' make[1]: *** [all-recursive] Fehler 1 make[1]: Leaving directory `/home/mh/bulids/abinit-7.2.1' make: *** [all] Fehler 2

Xyne commented on 2013-01-31 03:18 (UTC)

Disowned, adopted and updated. The package had been out-of-date for nearly 2 years and the maintainer has not been active for nearly 2.5. The current package uses the default upstream configuration options, which include about 164 MB of test files. I am not familiar with the software so I do not yet know if these files are useful. They may be moved to a separate package in the future.

hcar commented on 2011-03-01 18:01 (UTC)

new version: http://ftp.abinit.org/abinit-6.6.1.tar.gz