Arch Linux User Repository

@David01 the FTP site seems to be back up.

@banana-bred Many thanks, truly, and for maintaining the package here. Let me know if there is any progress

@David01 looks like the ftp site containing the different builds is inaccessible. I've messaged the only email I found on the upstream URL (now correctly included in the PKGBUILD); hopefully this gets resolved soon.

Hi, I'm sorry in advance for raising this question but when yay -S molden one gets:

==> ERROR: Failure while downloading https://ftp.science.ru.nl/Molden/molden7.3.tar.gz

For anyone who may be interested - fix to get to 6.9:

diff --git a/PKGBUILD b/PKGBUILD
index 69f1e2a..044f4c5 100644
--- a/PKGBUILD
+++ b/PKGBUILD
@@ -1,6 +1,6 @@
 # Maintainer: Dan Maftei <dan.maftei@gmail.com>
 pkgname="molden"
-pkgver=6.7
+pkgver=6.9
 pkgrel=1
 pkgdesc="A program for molecular and electronic structure visualization"
 arch=('i686' 'x86_64')
@@ -28,10 +28,10 @@ options=()
 install=
 changelog=
 source=(
-    "ftp://ftp.cmbi.umcn.nl/pub/molgraph/molden/$pkgname$pkgver.tar.gz"
+    "https://ftp.science.ru.nl/Molden/$pkgname$pkgver.tar.gz"
 )   
 noextract=()
-md5sums=('65d2f8fbdb2800e48bb0e12c814dfcd5')
+md5sums=('3551167d2853e5a6b3379edf74e81f1f')

 build() {
   cd "molden$pkgver"
@@ -50,6 +50,6 @@ package() {
   cd "molden$pkgver"
   install -t "$pkgdir/usr/bin/"  -Dm755 bin/{molden,gmolden,ambfor,ambmd,surf}
   install -t "$pkgdir/usr/share/doc/$pkgname" -Dm755 doc/figures.ps.Z  doc/manual.ps.Z doc/manual.txt.Z  
-  install -t "$pkgdir/usr/share/licenses/$pkgname/" -Dm755 CopyRight COMMERCIAL_LICENSE REGISTER         
+  install -t "$pkgdir/usr/share/licenses/$pkgname/" -Dm755 CopyRight MOLDEN_COMMERCIAL_LICENSE REGISTER
 }

gl & hf

@mib1982 If you apply the diff, that problem is solved.

Hi everyone,

I think the path for 'ambfor' and 'surf' has changed. I get the following error during packaging:

cannot stat 'src/ambfor/ambfor': No such file or directory
cannot stat 'src/surf/surf': No such file or directory

Both these subfolders are not created by the build-process. I found binaries with these filenames in the same folders as molden, though.

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
 }
-
-

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

Hi, Dan!

xproto is now called xorgproto. Could you please change?

Thanks a bunch!