XPost: linux.debian.devel.release

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Package: release.debian.org
Severity: normal
X-Debbugs-Cc: nwchem@packages.debian.org
Control: affects -1 + src:nwchem
User: release.debian.org@packages.debian.org
Usertags: unblock

Please unblock package nwchem

[ Reason ]

Recently resolved problems with mpich prevented armci-mpi and ga from
migrated before hard freeze. nwchem needs to be rebuilt against them
(and against the mpich release intended for trixie) to ensure the
trixie build is built consistently.

nwchem has tests passing in debian/tests, but debci was switched off
for armel, requiring this manual unblock request.

[ Impact ]

If migration is not unblocked, the old nwchem will be built with
inconsistent symbols with respect to mpich. The old nwchem build will
also miss the upstream bugfixes provided in libglobalarrays-dev (ga)
5.9.2-1. (these packages are using static libraries)

[ Tests ]

debian/test runs a comprehensive test suite, all tests are passing.

debci was switched off for armel, hence this manual unblock request is
needed.

[ Risks ]

This is a rebuild only with no code changes.

The risk is higher if migration remains blocked, since mpich symbols
may be inconsistent after the recent mpich updates.


[ 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

[ Other info ]

Use of static libraries is historical for armci-mpi/ga/nwchem.
I think the motivation was to provide more certainty that the same
binary build was being used, when comparison results (quantum chemical calculations) for scientific publication.

unblock nwchem/7.2.3-10

diff -Nru nwchem-7.2.3/debian/changelog nwchem-7.2.3/debian/changelog
--- nwchem-7.2.3/debian/changelog 2025-04-18 20:49:20.000000000 +0200
+++ nwchem-7.2.3/debian/changelog 2025-05-12 22:07:59.000000000 +0200
@@ -1,3 +1,16 @@
+nwchem (7.2.3-10) unstable; urgency=medium
+
+ * rebuild against ga (libglobalarrays-dev) 5.9.2
+
+ -- Drew Parsons <dparsons@debian.org> Mon, 12 May 2025 22:07:59 +0200
+
+nwchem (7.2.3-9) unstable; urgency=medium
+
+ * ensure nwchem is rebuilt for the version of mpich (really4.2.1)
+ targetted for trixie
+
+ -- Drew Parsons <dparsons@debian.org> Sun, 11 May 2025 03:41:12 +0200
+
nwchem (7.2.3-8) unstable; urgency=medium

* rebuild against libglobalarrays-dev 5.9.1

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