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sci-chemistry/acpype

AnteChamber PYthon Parser interfacE

*acpype-389 (17 May 2013)
17 May 2013; Justin Lecher (jlec) +acpype-389.ebuild,
metadata.xml:
Version Bump
amd64-linuxarm-linuxhppa-hpuxia64-hpuxia64-linuxm68k-mintmips-irixppc-aixppc-macosppc-openbsdsparc-solarissparc64-solarisx64-freebsdx64-macosx64-openbsdx64-solarisx86-cygwinx86-freebsdx86-interixx86-linuxx86-macosx86-netbsdx86-openbsdx86-solarisx86-winnt
389 ~
374 ~
366 ~
sci-chemistry Homepage GPL-3 ChangeLog Metadata Similar Bugs Forums

sci-chemistry/pymol-plugins-dynamics

Molecular dynamics in Pymol

*pymol-plugins-dynamics-1.2.0 (16 May 2013)
16 May 2013; Justin Lecher (jlec)
+pymol-plugins-dynamics-1.2.0.ebuild, +metadata.xml:
New addition on authors request
amd64-linuxarm-linuxhppa-hpuxia64-hpuxia64-linuxm68k-mintmips-irixppc-aixppc-macosppc-openbsdsparc-solarissparc64-solarisx64-freebsdx64-macosx64-openbsdx64-solarisx86-cygwinx86-freebsdx86-interixx86-linuxx86-macosx86-netbsdx86-openbsdx86-solarisx86-winnt
1.2.0 ~ ~
sci-chemistry Homepage GPL-3 ChangeLog Metadata Similar Bugs Forums

sci-chemistry/relax

Molecular dynamics by NMR data analysis

14 May 2013; Justin Lecher (jlec) relax-2.2.5.ebuild:
Add missing dep on dev-python/wxpython
amd64-linuxarm-linuxhppa-hpuxia64-hpuxia64-linuxm68k-mintmips-irixppc-aixppc-macosppc-openbsdsparc-solarissparc64-solarisx64-freebsdx64-macosx64-openbsdx64-solarisx86-cygwinx86-freebsdx86-interixx86-linuxx86-macosx86-netbsdx86-openbsdx86-solarisx86-winnt
2.2.5 ~ ~
2.2.1
2.1.0 ~ ~
sci-chemistry Homepage GPL-2 ChangeLog Metadata Similar Bugs Forums

sci-chemistry/aria

Automated NOE assignment and NMR structure calculation

*aria-2.3.2-r5 (14 May 2013)
14 May 2013; Justin Lecher (jlec) +aria-2.3.2-r5.ebuild:
Version Bump
amd64-linuxarm-linuxhppa-hpuxia64-hpuxia64-linuxm68k-mintmips-irixppc-aixppc-macosppc-openbsdsparc-solarissparc64-solarisx64-freebsdx64-macosx64-openbsdx64-solarisx86-cygwinx86-freebsdx86-interixx86-linuxx86-macosx86-netbsdx86-openbsdx86-solarisx86-winnt
2.3.2-r5 ~ ~
2.3.2-r4 ~ ~
2.3.2-r3 ~ ~
sci-chemistry Homepage cns ChangeLog Metadata Similar Bugs Forums

sci-chemistry/tm-align

Quick & Accurate Structural Alignment

*tm-align-20130511 (12 May 2013)
12 May 2013; Justin Lecher (jlec) -tm-align-20130508.ebuild,
+tm-align-20130511.ebuild:
Version BUmp, remove broken version
amd64-linuxarm-linuxhppa-hpuxia64-hpuxia64-linuxm68k-mintmips-irixppc-aixppc-macosppc-openbsdsparc-solarissparc64-solarisx64-freebsdx64-macosx64-openbsdx64-solarisx86-cygwinx86-freebsdx86-interixx86-linuxx86-macosx86-netbsdx86-openbsdx86-solarisx86-winnt
20130511 ~ ~
20120707 ~ ~
20120124 ~ ~
sci-chemistry Homepage tm-align ChangeLog Metadata Similar Bugs Forums

sci-chemistry/pdb-tools

Tools for manipulating and doing calculations on wwPDB macromolecule structure files

*pdb-tools-0.2.1-r1 (10 May 2013)
10 May 2013; Justin Lecher (jlec) +pdb-tools-0.2.1-r1.ebuild:
Fix double prefix installation
amd64-linuxarm-linuxhppa-hpuxia64-hpuxia64-linuxm68k-mintmips-irixppc-aixppc-macosppc-openbsdsparc-solarissparc64-solarisx64-freebsdx64-macosx64-openbsdx64-solarisx86-cygwinx86-freebsdx86-interixx86-linuxx86-macosx86-netbsdx86-openbsdx86-solarisx86-winnt
0.2.1-r1 ~ ~
0.2.1 ~ ~
0.1.4-r4 ~ ~
0.1.4-r3 ~ ~
sci-chemistry Homepage GPL-3 ChangeLog Metadata Similar Bugs Forums

sci-chemistry/gromacs

The ultimate molecular dynamics simulation package

05 May 2013; Christoph Junghans (ottxor) gromacs-4.5.7.ebuild:
clean up fortran
amd64-linuxarm-linuxhppa-hpuxia64-hpuxia64-linuxm68k-mintmips-irixppc-aixppc-macosppc-openbsdsparc-solarissparc64-solarisx64-freebsdx64-macosx64-openbsdx64-solarisx86-cygwinx86-freebsdx86-interixx86-linuxx86-macosx86-netbsdx86-openbsdx86-solarisx86-winnt
4.6.1 ~ ~ ~
4.5.7 ~ ~ ~
4.5.5-r1 ~ ~ ~
sci-chemistry Homepage LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD ) ChangeLog Metadata Similar Bugs Forums

sci-chemistry/mosflm

A program for integrating single crystal diffraction data from area detectors

05 May 2013; Justin Lecher (jlec) mosflm-7.0.6-r2.ebuild,
mosflm-7.0.7-r2.ebuild, mosflm-7.0.9.ebuild, metadata.xml:
Fix for ncurses[tinfo]
amd64-linuxarm-linuxhppa-hpuxia64-hpuxia64-linuxm68k-mintmips-irixppc-aixppc-macosppc-openbsdsparc-solarissparc64-solarisx64-freebsdx64-macosx64-openbsdx64-solarisx86-cygwinx86-freebsdx86-interixx86-linuxx86-macosx86-netbsdx86-openbsdx86-solarisx86-winnt
7.0.9 ~ ~
7.0.7-r2 ~ ~
7.0.6-r2 ~ ~
sci-chemistry Homepage ccp4 ChangeLog Metadata Similar Bugs Forums

sci-chemistry/apbs

Evaluation of electrostatic properties of nanoscale biomolecular systems

02 May 2013; Justin Lecher (jlec) apbs-1.3-r3.ebuild:
Fix obsolete macros in automake-1.13
amd64-linuxarm-linuxhppa-hpuxia64-hpuxia64-linuxm68k-mintmips-irixppc-aixppc-macosppc-openbsdsparc-solarissparc64-solarisx64-freebsdx64-macosx64-openbsdx64-solarisx86-cygwinx86-freebsdx86-interixx86-linuxx86-macosx86-netbsdx86-openbsdx86-solarisx86-winnt
1.3-r3 ~ ~
1.2.1b-r4 ~ ~
sci-chemistry Homepage BSD ChangeLog Metadata Similar Bugs Forums

sci-chemistry/molmol

Publication-quality molecular visualization package

*molmol-2k_p2-r4 (02 May 2013)
02 May 2013; Justin Lecher (jlec) +molmol-2k_p2-r4.ebuild:
Respect AR, #468178
amd64-linuxarm-linuxhppa-hpuxia64-hpuxia64-linuxm68k-mintmips-irixppc-aixppc-macosppc-openbsdsparc-solarissparc64-solarisx64-freebsdx64-macosx64-openbsdx64-solarisx86-cygwinx86-freebsdx86-interixx86-linuxx86-macosx86-netbsdx86-openbsdx86-solarisx86-winnt
2k_p2-r4 ~ ~
2k_p2-r3 ~ ~
2k_p2-r2 ~ ~
sci-chemistry Homepage molmol ChangeLog Metadata Similar Bugs Forums

Last update:
20 May 2013
04:01 UTC

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