Red Hat Bugzilla – Bug 465617
Review Request: gromacs3 - a Molecular Dynamics package
Last modified: 2008-10-17 14:26:37 EDT
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
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
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
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
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.