XPost: linux.debian.devel.release
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Package: release.debian.org
Severity: normal
X-Debbugs-Cc:
[email protected]
Control: affects -1 + src:packmol
User:
[email protected]
Usertags: unblock
Please unblock package packmol
[ Reason ]
packmol has made two bugfix releases which fix issues initialising calculations. This upload backports the two small patches involved.
It would be good for trixie users to have these bug fixes applied.
[ Impact ]
Two small bugs in packmol 21.0.2 have been identified, affecting
initialisation of parameters used to move molecules and initial
coordinates used. Not all molecules are affected, but the issue is a
problem for those which are affected.
[ Tests ]
Unfortunately upstream does not provide testing (apart from tests via
julia, which is not supported by debian). Hence the need for this
unblock request.
[ Risks ]
The patches are nearly trivial and have been accepted and tested
upstream (the patches are backported from upstream 21.0.3 and 21.0.4).
No other packages are affected. Risk is therefore low.
[ Checklist ]
[x ] all changes are documented in the d/changelog
[x ] I reviewed all changes and I approve them
[x ] attach debdiff against the package in testing
unblock packmol/1:21.0.2-2
diff -Nru packmol-21.0.2/debian/changelog packmol-21.0.2/debian/changelog
--- packmol-21.0.2/debian/changelog 2025-05-08 22:45:59.000000000 +0200
+++ packmol-21.0.2/debian/changelog 2025-07-16 10:49:42.000000000 +0200
@@ -1,3 +1,12 @@
+packmol (1:21.0.2-2) unstable; urgency=medium
+
+ * debian patches initial_maxmove_PR98.patch and
+ initial_coord_PR99.patch apply upstream PR#98 and PR#99 to fix
+ initialisation of move parameters and coordinates.
+ Backports from upstream 21.0.3 and 21.0.4 releases.
+
+ -- Drew Parsons <
[email protected]> Wed, 16 Jul 2025 10:49:42 +0200
+
packmol (1:21.0.2-1) unstable; urgency=medium
* New upstream release
diff -Nru packmol-21.0.2/debian/patches/initial_coord_PR99.patch packmol-21.0.2/debian/patches/initial_coord_PR99.patch
--- packmol-21.0.2/debian/patches/initial_coord_PR99.patch 1970-01-01 01:00:00.000000000 +0100
+++ packmol-21.0.2/debian/patches/initial_coord_PR99.patch 2025-07-16 10:49:42.000000000 +0200
@@ -0,0 +1,22 @@
+From 8d6e8bea92662bafbf41a2ae1e707c1c95e6b0dc Mon Sep 17 00:00:00 2001
+From: Robin