[Bug 741626] New: Review Request: packmol - Packing optimization for molecular dynamics simulations
by Red Hat Bugzilla
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Summary: Review Request: packmol - Packing optimization for molecular dynamics simulations
https://bugzilla.redhat.com/show_bug.cgi?id=741626
Summary: Review Request: packmol - Packing optimization for
molecular dynamics simulations
Product: Fedora
Version: rawhide
Platform: All
OS/Version: Linux
Status: NEW
Severity: medium
Priority: medium
Component: Package Review
AssignedTo: nobody(a)fedoraproject.org
ReportedBy: jussi.lehtola(a)iki.fi
QAContact: extras-qa(a)fedoraproject.org
CC: notting(a)redhat.com,
package-review(a)lists.fedoraproject.org
Classification: Fedora
Story Points: ---
Type: ---
Spec URL:
http://theory.physics.helsinki.fi/~jzlehtol/rpms/packmol.spec
SRPM URL:
http://theory.physics.helsinki.fi/~jzlehtol/rpms/packmol-1.1.1.258-1.fc15...
Upstream URL:
http://www.ime.unicamp.br/~martinez/packmol/
Description:
Packmol creates an initial point for molecular dynamics simulations by
packing molecules in defined regions of space. The packing guarantees
that short range repulsive interactions do not disrupt the
simulations.
The great variety of types of spatial constraints that can be
attributed to the molecules, or atoms within the molecules, makes it
easy to create ordered systems, such as lamellar, spherical or tubular
lipid layers.
The user must provide only the coordinates of one molecule of each
type, the number of molecules of each type and the spatial constraints
that each type of molecule must satisfy.
The package is compatible with input files of PDB, TINKER, XYZ and
MOLDY formats.
rpmlint output:
packmol.src: W: spelling-error %description -l en_US lamellar -> Carmella,
Mallarme, Marcella
packmol.src:58: W: macro-in-comment %{buildroot}
packmol.src:58: W: macro-in-comment %{_bindir}
packmol.src:68: W: macro-in-comment %{_bindir}
packmol.x86_64: W: spelling-error %description -l en_US lamellar -> Carmella,
Mallarme, Marcella
packmol.x86_64: W: no-manual-page-for-binary packmol
packmol.x86_64: W: no-manual-page-for-binary packmol_solvate
3 packages and 0 specfiles checked; 0 errors, 7 warnings.
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11 years
[Bug 736870] New: Review Request: netcdf4-python - Python/numpy interface to netCDF
by Red Hat Bugzilla
Please do not reply directly to this email. All additional
comments should be made in the comments box of this bug.
Summary: Review Request: netcdf4-python - Python/numpy interface to netCDF
https://bugzilla.redhat.com/show_bug.cgi?id=736870
Summary: Review Request: netcdf4-python - Python/numpy
interface to netCDF
Product: Fedora
Version: rawhide
Platform: All
OS/Version: Linux
Status: NEW
Severity: medium
Priority: medium
Component: Package Review
AssignedTo: nobody(a)fedoraproject.org
ReportedBy: orion(a)cora.nwra.com
QAContact: extras-qa(a)fedoraproject.org
CC: notting(a)redhat.com,
package-review(a)lists.fedoraproject.org
Classification: Fedora
Story Points: ---
Type: ---
Spec URL: http://www.cora.nwra.com/~orion/fedora/netcdf4-python.spec
SRPM URL:
http://www.cora.nwra.com/~orion/fedora/netcdf4-python-0.9.7-1.fc15.src.rpm
Description:
netCDF version 4 has many features not found in earlier versions of the
library and is implemented on top of HDF5. This module can read and write
files in both the new netCDF 4 and the old netCDF 3 format, and can create
files that are readable by HDF5 clients. The API modeled after
Scientific.IO.NetCDF, and should be familiar to users of that module.
Most new features of netCDF 4 are implemented, such as multiple unlimited
dimensions, groups and zlib data compression. All the new numeric data types
(such as 64 bit and unsigned integer types) are implemented. Compound and
variable length (vlen) data types are supported, but the enum and opaque data
types are not. Mixtures of compound and vlen data types (compound types
containing vlens, and vlens containing compound types) are not supported.
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11 years