Package Details: molden 6.5-1

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: http://www.cmbi.ru.nl/molden/
Keywords: molecular visualisation
Licenses: custom
Provides: molden
Submitter: dan.maftei
Maintainer: dan.maftei
Last Packager: dan.maftei
Votes: 6
Popularity: 0.051534
First Submitted: 2016-06-07 09:53
Last Updated: 2020-09-20 06:00

Latest Comments

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berquist commented on 2020-09-28 03:01

I was having a bunch of problems unrelated to GCC 10; here's the diff for the changes:

diff --git a/PKGBUILD b/PKGBUILD
index f3eeaf7..6325166 100644
--- a/PKGBUILD
+++ b/PKGBUILD
@@ -1,57 +1,44 @@
 # Maintainer: Dan Maftei <dan.maftei@gmail.com>
 pkgname="molden"
 pkgver=6.5
-pkgrel=1
+pkgrel=2
 pkgdesc="A program for molecular and electronic structure visualization"
 arch=('i686' 'x86_64')
 url="http://www.cmbi.ru.nl/molden/"
 license=('custom')
-groups=()
-depends=('mesa' 'glu')
-makedepends=(
-    'vi'
-    'gcc-fortran'
-    'xorgproto'
-    'libx11'
-    'mesa'
-    'glu'
-)
+depends=('gcc-libs' 'glu' 'libx11' 'libxmu')
+makedepends=('gcc-fortran' 'xorgproto' 'vi')
 optdepends=(
    'openbabel: to create 2D images of the molecules in a .sdf file'
    'wget: to fetch PDB from rcsb.org'
 )
 provides=('molden')
-conflicts=()
-replaces=()
-backup=()
-options=()
-install=
-changelog=
 source=(
     "ftp://ftp.cmbi.umcn.nl/pub/molgraph/molden/$pkgname$pkgver.tar.gz"
 )
-noextract=()
 md5sums=('97bfffd55e166ca3a9fbddee111993ff')

-build() {
+prepare() {
   cd "molden$pkgver"
-  # Patch Makefile for surf utility to reflect 
-  # the replacement of missing makedepend 
+  # Patch Makefile for surf utility to reflect
+  # the replacement of missing makedepend
   sed -i 's/@.*makedepend.*$/@ \$(CC) \$(INCLUDE) -M \$(SRCS) \> makedep/' src/surf/Makefile
-  
+
   # Patch to compile with gfortran 10
   # Contributed by Panadestein on 5/31/2020
   sed -i 's/FFLAGS = -g ${AFLAG}/& -fallow-argument-mismatch/g' makefile
   sed -i 's/FFLAGS = -c -g -ffast-math -funroll-loops -O3/& -fallow-argument-mismatch/g' src/ambfor/makefile
+}
+
+build() {
+  cd "molden$pkgver"
   make
 }

 package() {
   cd "molden$pkgver"
   install -t "$pkgdir/usr/bin/"  -Dm755 bin/{molden,gmolden}
-  install -t "$pkgdir/usr/lib/$pkgname/" -Dm755 src/ambfor/ambfor src/ambfor/ambmd src/surf/surf  
-  install -t "$pkgdir/usr/share/doc/$pkgname" -Dm755 doc/figures.ps.Z  doc/manual.ps.Z doc/manual.txt.Z  
-  install -t "$pkgdir/usr/share/licenses/$pkgname/" -Dm755 CopyRight COMMERCIAL_LICENSE REGISTER     
+  install -t "$pkgdir/usr/lib/$pkgname/" -Dm755 bin/{ambfor,ambmd,surf}
+  install -t "$pkgdir/usr/share/doc/$pkgname" -Dm755 doc/figures.ps.Z  doc/manual.ps.Z doc/manual.txt.Z
+  install -t "$pkgdir/usr/share/licenses/$pkgname/" -Dm755 CopyRight COMMERCIAL_LICENSE REGISTER
 }
-
-

Panadestein commented on 2020-05-31 21:46

Hi everyone.

In case you are facing compilations errors due to some new features introduced in GCC 10, I suggest you to add the -fallow-argument-mismatch compilation flag to gfortran. This action needs to be performed in the main makefile and in the ambfor makefile. The issue is partially explained in the GCC 10 release notes:

https://gcc.gnu.org/gcc-10/changes.html

I guess a patch to the PKGBUILD file can be written, parsing both makefiles and adding the compilation flag.

Nice day to all of you.

Edit

These are the lines that need to be added to the build() function of the PKGBUILD:

sed -i 's/FFLAGS = -g ${AFLAG}/& -fallow-argument-mismatch/g' makefile
sed -i 's/FFLAGS = -c -g -ffast-math -funroll-loops -O3/& -fallow-argument-mismatch/g' ambfor/makefile

mvd commented on 2020-03-28 03:00

Hi, Dan!

xproto is now called xorgproto. Could you please change?

Thanks a bunch!

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

Package just upgraded, Thank you!

c0r3dump3d commented on 2019-10-20 11:26

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

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

3yan commented on 2018-05-28 03:44

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

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

Panadestein commented on 2018-05-15 15:34

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

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.