Package Details: molden 7.3-3

Git Clone URL: https://aur.archlinux.org/molden.git (read-only, click to copy)
Package Base: molden
Description: A program for molecular and electronic structure visualization
Upstream URL: https://www.theochem.ru.nl/molden/
Keywords: molecular visualisation
Licenses: custom
Provides: molden
Submitter: dan.maftei
Maintainer: banana-bred
Last Packager: banana-bred
Votes: 7
Popularity: 0.065263
First Submitted: 2016-06-07 09:53 (UTC)
Last Updated: 2024-03-08 17:18 (UTC)

Dependencies (9)

Required by (0)

Sources (1)

Latest Comments

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dan.maftei commented on 2019-10-20 16:15 (UTC)

Package just upgraded, Thank you!

c0r3dump3d commented on 2019-10-20 11:26 (UTC)

Hello, It's seems that the md5sum of the package for version 6.1 it's wrong:

md5sum molden6.1.tar.gz 7bc693baddd615f554a08f452c5282dd molden6.1.tar.gz

mykhal commented on 2018-07-21 15:38 (UTC)

if download fails, s/ftp.cmbi.ru.nl/ftp.cmbi.umcn.nl/ might help.

3yan commented on 2018-05-28 03:44 (UTC)

New version in the upstream (5.8) is fixed. I do not know if anybody wrote to the developers but they've released it 2018-05-24. Flagging "out of date." Tested the build. Only thing that is needed is to change pkgver and pkgrel to 5.8 and 1 respectively in the PKGBUILD.

3yan commented on 2018-05-16 08:15 (UTC)

arjun_karol - thx, solution works. Did anybody wrote to the Molden developer team?

Panadestein commented on 2018-05-15 15:34 (UTC) (edited on 2018-05-15 15:35 (UTC) by Panadestein)

Thanks arjun_karol I did as suggested and it is now working. I patched the original source.

arjun_karol commented on 2018-05-15 14:42 (UTC)

Hello, I found out simple way to prevent mentioned call flth(jat,icnn2,inb,iconn) error. In the rdchx.f file, in flth subroutine delete +1 from icoon declarations mxcon+1 -> mxcon.

After that change molden compiles, and I didn't noticed any problems yet.

Panadestein commented on 2018-05-07 12:45 (UTC) (edited on 2020-05-31 22:49 (UTC) by Panadestein)

Hello.

A new update of molden and gcc-fortran. There is a checksum mismatch, so I edited the PKGBUILD adding the correct md5sum. After this, there are some compilation errors (I guess related to the new gcc-fortran version):

gfortran -g -m64 -c -o rdchx.o rdchx.f rdchx.f:6097:29:

            call flth(jat,icnn2,ibnds2,iconn)
                         1

Error: Actual argument contains too few elements for dummy argument ‘icnn’ (10/11) at (1) rdchx.f:6102:39:

                      call flth(kat,icnn2,ibnds2,iconn)
                                   1

Error: Actual argument contains too few elements for dummy argument ‘icnn’ (10/11) at (1) rdchx.f:6129:29:

            call flth(jat,icnn2,ibnds2,iconn)
                         1

Error: Actual argument contains too few elements for dummy argument ‘icnn’ (10/11) at (1) rdchx.f:6144:33:

            call flth(icnn(i),icnn2,ibnds2,iconn)
                             1

Error: Actual argument contains too few elements for dummy argument ‘icnn’ (10/11) at (1) rdchx.f:6175:38:

                     call flth(jat,icnn2,ibnds2,iconn)
                                  1

Error: Actual argument contains too few elements for dummy argument ‘icnn’ (10/11) at (1) rdchx.f:6190:35:

                  call flth(jat,icnn2,inb,iconn)
                               1

Error: Actual argument contains too few elements for dummy argument ‘icnn’ (10/11) at (1) make: *** [<builtin>: rdchx.o] Error 1 ==> ERROR: A failure occurred in build(). Aborting... 2018-05-07 14:39:59,646 - wrappers - makepkg - ERROR - makepkg query makepkg -cf --noconfirm failed

Panadestein commented on 2017-10-05 13:04 (UTC)

Hello. Again a checksum mismatch, can you please correct the PKGBUILD? Your idea of the cronjob is a good one, I think it must be implemented. Greetings

dan.maftei commented on 2017-06-06 15:36 (UTC)

Symlink-ing libraries is NOT a good idea, even if it works sometimes. In your case, further updates of gcc-fortran will fail with pacman complaining that "file ... exists in the filesystem...". However, the issue doesn't relate to molden. Since you've upgraded the dependencies (gcc-gfortran and maybe others), you should recompile molden too, to link against newly-installed libs: yaourt -Syyua (to upgrade all packages, including those from AUR) or, to upgrade only molden: yaourt -Sa molden