Bug 465617

Summary:	Review Request: gromacs3 - a Molecular Dynamics package
Product:	[Fedora] Fedora	Reporter:	Susi Lehtola <susi.lehtola>
Component:	Package Review	Assignee:	Nobody's working on this, feel free to take it <nobody>
Status:	CLOSED NOTABUG	QA Contact:	Fedora Extras Quality Assurance <extras-qa>
Severity:	medium	Docs Contact:
Priority:	medium
Version:	rawhide	CC:	fedora-package-review, notting
Target Milestone:	---
Target Release:	---
Hardware:	All
OS:	Linux
Whiteboard:
Fixed In Version:		Doc Type:	Bug Fix
Doc Text:		Story Points:	---
Clone Of:		Environment:
Last Closed:	2008-10-10 13:40:22 UTC	Type:	---
Regression:	---	Mount Type:	---
Documentation:	---	CRM:
Verified Versions:		Category:	---
oVirt Team:	---	RHEL 7.3 requirements from Atomic Host:
Cloudforms Team:	---	Target Upstream Version:
Embargoed:

Description Susi Lehtola 2008-10-04 17:10:31 UTC

Spec URL:
http://theory.physics.helsinki.fi/~jzlehtol/rpms/gromacs3.spec

SRPM URL: 
http://theory.physics.helsinki.fi/~jzlehtol/rpms/gromacs3-3.3.3-1.fc9.src.rpm

Description:
GROMACS is a versatile and extremely well optimized package
to perform molecular dynamics computer simulations and
subsequent trajectory analysis. It is developed for
biomolecules like proteins, but the extremely high
performance means it is used also in several other field
like polymer chemistry and solid state physics.


The package gromacs3 provides the older stable release series of GROMACS, and is based on the specfile of the gromacs package.

gromacs package review at https://bugzilla.redhat.com/show_bug.cgi?id=464424

Comment 1 Susi Lehtola 2008-10-06 13:02:30 UTC

Fixed build for EPEL4.

http://theory.physics.helsinki.fi/~jzlehtol/rpms/gromacs3.spec
http://theory.physics.helsinki.fi/~jzlehtol/rpms/gromacs3-3.3.3-2.fc9.src.rpm

Comment 2 Susi Lehtola 2008-10-07 08:20:35 UTC

Renamed module files.

http://theory.physics.helsinki.fi/~jzlehtol/rpms/gromacs3.spec
http://theory.physics.helsinki.fi/~jzlehtol/rpms/gromacs3-3.3.3-3.fc9.src.rpm

Comment 3 Susi Lehtola 2008-10-08 10:45:55 UTC

Added conflict to module file.

gromacs3.x86_64: W: no-documentation
gromacs3-bash.x86_64: W: no-documentation
gromacs3-bash.x86_64: W: conffile-without-noreplace-flag /etc/bash_completion.d/gromacs3
gromacs3-common.x86_64: W: conffile-without-noreplace-flag /etc/modulefiles/gromacs3
gromacs3-csh.x86_64: W: summary-not-capitalized csh GROMACS support
gromacs3-devel.x86_64: W: no-documentation
gromacs3-devel.x86_64: E: only-non-binary-in-usr-lib
gromacs3-libs.x86_64: W: no-documentation
gromacs3-mpi.x86_64: W: no-documentation
gromacs3-mpi-devel.x86_64: W: no-documentation
gromacs3-mpi-devel.x86_64: E: only-non-binary-in-usr-lib
gromacs3-mpi-libs.x86_64: W: no-documentation
gromacs3-tutor.x86_64: W: no-documentation
gromacs3-zsh.x86_64: W: no-documentation
gromacs3-zsh.x86_64: W: summary-not-capitalized zsh GROMACS support
12 packages and 1 specfiles checked; 2 errors, 13 warnings.

http://theory.physics.helsinki.fi/~jzlehtol/rpms/gromacs3.spec
http://theory.physics.helsinki.fi/~jzlehtol/rpms/gromacs3-3.3.3-4.fc9.src.rpm

Comment 4 Susi Lehtola 2008-10-10 13:40:22 UTC

I've contacted upstream. Gromacs 4 can read the files made with gromacs 3, thus eliminating the need for a separate package for gromacs 3. Also, now that Gromacs 4 is out there won't be any more updates for Gromacs 3.

Closing request, since the package gromacs does everything that is needed.