Arch Linux User Repository

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)

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

Sorry for the delay. It should be fixed now.

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...

@hzhangxyz I've removed the atompaw dependency.

does it really need atompaw? it seems not?

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

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')

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.

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

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

The package compiles with the latest upstream release.

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.

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

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.

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