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author | Justin Lecher <jlec@gentoo.org> | 2017-11-18 21:01:49 +0000 |
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committer | Justin Lecher <jlec@gentoo.org> | 2017-11-18 21:01:49 +0000 |
commit | 1e04d5868f177eb639f03889b59d2cba00206578 (patch) | |
tree | 46f0172586bf1144dbdea461acd7d5c87dbaeb51 /sci-chemistry | |
parent | Consistently ident with tabs (diff) | |
download | sci-1e04d5868f177eb639f03889b59d2cba00206578.tar.gz sci-1e04d5868f177eb639f03889b59d2cba00206578.tar.bz2 sci-1e04d5868f177eb639f03889b59d2cba00206578.zip |
Second try to clean spaces in metadata.xml
Signed-off-by: Justin Lecher <jlec@gentoo.org>
Diffstat (limited to 'sci-chemistry')
-rw-r--r-- | sci-chemistry/drawxtl/metadata.xml | 4 | ||||
-rw-r--r-- | sci-chemistry/erkale/metadata.xml | 16 | ||||
-rw-r--r-- | sci-chemistry/freeon/metadata.xml | 4 | ||||
-rw-r--r-- | sci-chemistry/gnome-chemistry-utils/metadata.xml | 6 | ||||
-rw-r--r-- | sci-chemistry/nwchem/metadata.xml | 26 | ||||
-rw-r--r-- | sci-chemistry/openbabel-java/metadata.xml | 12 | ||||
-rw-r--r-- | sci-chemistry/openbabel-perl/metadata.xml | 12 | ||||
-rw-r--r-- | sci-chemistry/openbabel-python/metadata.xml | 12 | ||||
-rw-r--r-- | sci-chemistry/openbabel-ruby/metadata.xml | 12 | ||||
-rw-r--r-- | sci-chemistry/openbabel/metadata.xml | 10 | ||||
-rw-r--r-- | sci-chemistry/panav/metadata.xml | 6 | ||||
-rw-r--r-- | sci-chemistry/pymol-plugins-ezviz/metadata.xml | 18 | ||||
-rw-r--r-- | sci-chemistry/shiftx2/metadata.xml | 58 | ||||
-rw-r--r-- | sci-chemistry/wxmacmolplt/metadata.xml | 16 |
14 files changed, 106 insertions, 106 deletions
diff --git a/sci-chemistry/drawxtl/metadata.xml b/sci-chemistry/drawxtl/metadata.xml index fe7f76183..37be5d841 100644 --- a/sci-chemistry/drawxtl/metadata.xml +++ b/sci-chemistry/drawxtl/metadata.xml @@ -6,7 +6,7 @@ <name>Gentoo Chemistry Project</name> </maintainer> <longdescription lang="en"> - This software can be used to produce crystal structure drawings from structural - data. +This software can be used to produce crystal structure drawings from structural +data. </longdescription> </pkgmetadata> diff --git a/sci-chemistry/erkale/metadata.xml b/sci-chemistry/erkale/metadata.xml index 8c2fec457..eea62e858 100644 --- a/sci-chemistry/erkale/metadata.xml +++ b/sci-chemistry/erkale/metadata.xml @@ -9,13 +9,13 @@ <name>Gentoo Chemistry Project</name> </maintainer> <longdescription lang="en"> - ERKALE is a quantum chemistry program used to solve the electronic - structure of atoms, molecules and molecular clusters. It was developed at - the University of Helsinki, and is currently developed at Aalto University. +ERKALE is a quantum chemistry program used to solve the electronic +structure of atoms, molecules and molecular clusters. It was developed at +the University of Helsinki, and is currently developed at Aalto University. - The main use of ERKALE is the computation of x-ray properties, such as - ground-state electron momentum densities and Compton profiles, and core - (x-ray absorption and x-ray Raman scattering) and valence electron - excitation spectra of atoms and molecules. - </longdescription> +The main use of ERKALE is the computation of x-ray properties, such as +ground-state electron momentum densities and Compton profiles, and core +(x-ray absorption and x-ray Raman scattering) and valence electron +excitation spectra of atoms and molecules. +</longdescription> </pkgmetadata> diff --git a/sci-chemistry/freeon/metadata.xml b/sci-chemistry/freeon/metadata.xml index 8f4e98e7e..79f403367 100644 --- a/sci-chemistry/freeon/metadata.xml +++ b/sci-chemistry/freeon/metadata.xml @@ -2,8 +2,8 @@ <!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd"> <pkgmetadata> <longdescription lang="en"> - FreeON is an experimental, open source (GPL) suite of programs for linear scaling quantum chemistry. - </longdescription> +FreeON is an experimental, open source (GPL) suite of programs for linear scaling quantum chemistry. +</longdescription> <maintainer type="person"> <email>nicolasbock@gentoo.org</email> <name>Nicolas Bock</name> diff --git a/sci-chemistry/gnome-chemistry-utils/metadata.xml b/sci-chemistry/gnome-chemistry-utils/metadata.xml index 5a8da44f4..c6cbb8582 100644 --- a/sci-chemistry/gnome-chemistry-utils/metadata.xml +++ b/sci-chemistry/gnome-chemistry-utils/metadata.xml @@ -2,9 +2,9 @@ <!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd"> <pkgmetadata> <longdescription lang="en"> - The Gnome Chemistry Utils provide some programs and library containing - GTK widgets and some C++ classes related to chemistry. - </longdescription> +The Gnome Chemistry Utils provide some programs and library containing +GTK widgets and some C++ classes related to chemistry. +</longdescription> <use> <flag name="gnumeric">Build pluging for gnumeric</flag> </use> diff --git a/sci-chemistry/nwchem/metadata.xml b/sci-chemistry/nwchem/metadata.xml index 5d5f4cd5e..61993bb4b 100644 --- a/sci-chemistry/nwchem/metadata.xml +++ b/sci-chemistry/nwchem/metadata.xml @@ -11,24 +11,24 @@ </maintainer> <use> <flag name="blas"> - Use external BLAS library instead of the internal routines - </flag> +Use external BLAS library instead of the internal routines +</flag> <flag name="cuda"> - Enable CUDA GPU support for the Tensor Contraction Engine generated - methods (CI, MBPT, CC) - </flag> +Enable CUDA GPU support for the Tensor Contraction Engine generated +methods (CI, MBPT, CC) +</flag> <flag name="int64"> - Use 64 bits integers - </flag> +Use 64 bits integers +</flag> <flag name="lapack"> - Use external LAPACK library instead of the internal routines - </flag> +Use external LAPACK library instead of the internal routines +</flag> <flag name="mrcc"> - Compile the routines for Multi Reference Coupled Clusters theory - </flag> +Compile the routines for Multi Reference Coupled Clusters theory +</flag> <flag name="nwchem-tests">Install qa tests data</flag> <flag name="scalapack"> - Use external SCALAPACK library - </flag> +Use external SCALAPACK library +</flag> </use> </pkgmetadata> diff --git a/sci-chemistry/openbabel-java/metadata.xml b/sci-chemistry/openbabel-java/metadata.xml index 4298a22b6..2a1736c4d 100644 --- a/sci-chemistry/openbabel-java/metadata.xml +++ b/sci-chemistry/openbabel-java/metadata.xml @@ -6,12 +6,12 @@ <name>Gentoo Chemistry Project</name> </maintainer> <longdescription> - Open Babel is a chemical toolbox designed to speak the many languages of - chemical data. It's an open, collaborative project allowing anyone to - search, convert, analyze, or store data from molecular modeling, chemistry, - solid-state materials, biochemistry, or related areas. This package enables - to access Open Babel library from Java (Scala, etc.) programs. - </longdescription> +Open Babel is a chemical toolbox designed to speak the many languages of +chemical data. It's an open, collaborative project allowing anyone to +search, convert, analyze, or store data from molecular modeling, chemistry, +solid-state materials, biochemistry, or related areas. This package enables +to access Open Babel library from Java (Scala, etc.) programs. +</longdescription> <upstream> <remote-id type="sourceforge">openbabel</remote-id> </upstream> diff --git a/sci-chemistry/openbabel-perl/metadata.xml b/sci-chemistry/openbabel-perl/metadata.xml index a33d79672..3dc4c5711 100644 --- a/sci-chemistry/openbabel-perl/metadata.xml +++ b/sci-chemistry/openbabel-perl/metadata.xml @@ -6,12 +6,12 @@ <name>Gentoo Chemistry Project</name> </maintainer> <longdescription> - Open Babel is a chemical toolbox designed to speak the many languages of - chemical data. It's an open, collaborative project allowing anyone to - search, convert, analyze, or store data from molecular modeling, chemistry, - solid-state materials, biochemistry, or related areas. - This package enables to access Open Babel library from Perl programs. - </longdescription> +Open Babel is a chemical toolbox designed to speak the many languages of +chemical data. It's an open, collaborative project allowing anyone to +search, convert, analyze, or store data from molecular modeling, chemistry, +solid-state materials, biochemistry, or related areas. +This package enables to access Open Babel library from Perl programs. +</longdescription> <upstream> <remote-id type="sourceforge">openbabel</remote-id> </upstream> diff --git a/sci-chemistry/openbabel-python/metadata.xml b/sci-chemistry/openbabel-python/metadata.xml index c7b4a91d5..1acf891c7 100644 --- a/sci-chemistry/openbabel-python/metadata.xml +++ b/sci-chemistry/openbabel-python/metadata.xml @@ -6,12 +6,12 @@ <name>Gentoo Chemistry Project</name> </maintainer> <longdescription> - Open Babel is a chemical toolbox designed to speak the many languages of - chemical data. It's an open, collaborative project allowing anyone to - search, convert, analyze, or store data from molecular modeling, chemistry, - solid-state materials, biochemistry, or related areas. This package enables - to access Open Babel library from Python programs. - </longdescription> +Open Babel is a chemical toolbox designed to speak the many languages of +chemical data. It's an open, collaborative project allowing anyone to +search, convert, analyze, or store data from molecular modeling, chemistry, +solid-state materials, biochemistry, or related areas. This package enables +to access Open Babel library from Python programs. +</longdescription> <upstream> <remote-id type="sourceforge">openbabel</remote-id> </upstream> diff --git a/sci-chemistry/openbabel-ruby/metadata.xml b/sci-chemistry/openbabel-ruby/metadata.xml index 3a3af58ab..cc3c28852 100644 --- a/sci-chemistry/openbabel-ruby/metadata.xml +++ b/sci-chemistry/openbabel-ruby/metadata.xml @@ -6,12 +6,12 @@ <name>Gentoo Chemistry Project</name> </maintainer> <longdescription> - Open Babel is a chemical toolbox designed to speak the many languages of - chemical data. It's an open, collaborative project allowing anyone to - search, convert, analyze, or store data from molecular modeling, chemistry, - solid-state materials, biochemistry, or related areas. This package enables - to access Open Babel library from Ruby programs. - </longdescription> +Open Babel is a chemical toolbox designed to speak the many languages of +chemical data. It's an open, collaborative project allowing anyone to +search, convert, analyze, or store data from molecular modeling, chemistry, +solid-state materials, biochemistry, or related areas. This package enables +to access Open Babel library from Ruby programs. +</longdescription> <upstream> <remote-id type="sourceforge">openbabel</remote-id> </upstream> diff --git a/sci-chemistry/openbabel/metadata.xml b/sci-chemistry/openbabel/metadata.xml index 3566de64c..1b001391d 100644 --- a/sci-chemistry/openbabel/metadata.xml +++ b/sci-chemistry/openbabel/metadata.xml @@ -6,11 +6,11 @@ <name>Gentoo Chemistry Project</name> </maintainer> <longdescription> - Open Babel is a chemical toolbox designed to speak the many languages of - chemical data. It's an open, collaborative project allowing anyone to - search, convert, analyze, or store data from molecular modeling, chemistry, - solid-state materials, biochemistry, or related areas. - </longdescription> +Open Babel is a chemical toolbox designed to speak the many languages of +chemical data. It's an open, collaborative project allowing anyone to +search, convert, analyze, or store data from molecular modeling, chemistry, +solid-state materials, biochemistry, or related areas. +</longdescription> <use> <flag name="doc">Install API dicumentation.</flag> <flag name="openmp">Enable parallelization using OpenMP.</flag> diff --git a/sci-chemistry/panav/metadata.xml b/sci-chemistry/panav/metadata.xml index 694fe0a9f..ce2056e66 100644 --- a/sci-chemistry/panav/metadata.xml +++ b/sci-chemistry/panav/metadata.xml @@ -26,8 +26,8 @@ protocol, which is based on using residue-specific and secondary structure-specific chemical shift distributions calculated over small (3–6 residue) fragments to identify mis-assigned resonances. The method is also able to identify and re-reference mis-referenced chemical shift - assignments. Comparisons against existing re-referencing or mis-assignment - detection programs show that the method is as good or superior to existing - approaches. +assignments. Comparisons against existing re-referencing or mis-assignment +detection programs show that the method is as good or superior to existing +approaches. </longdescription> </pkgmetadata> diff --git a/sci-chemistry/pymol-plugins-ezviz/metadata.xml b/sci-chemistry/pymol-plugins-ezviz/metadata.xml index 0dff1c081..a534b14c2 100644 --- a/sci-chemistry/pymol-plugins-ezviz/metadata.xml +++ b/sci-chemistry/pymol-plugins-ezviz/metadata.xml @@ -9,14 +9,14 @@ <name>Gentoo Chemistry Project</name> </maintainer> <longdescription> - EZ-Viz was developed as an assistance tool for the difficult to - understand user interface of PyMOL. The standard interface is - very complex takes a long time to learn, especially for students - unfamiliar with the chemistry and busy researchers with little - time to learn the commands necessary to use the PyMOL software - to its full extent. EZ-Viz allows for users to navigate through - PyMOL using a series of clickable buttons and tabs to complete - all functions of the PyMol software without ever having to type - a single command. +EZ-Viz was developed as an assistance tool for the difficult to +understand user interface of PyMOL. The standard interface is +very complex takes a long time to learn, especially for students +unfamiliar with the chemistry and busy researchers with little +time to learn the commands necessary to use the PyMOL software +to its full extent. EZ-Viz allows for users to navigate through +PyMOL using a series of clickable buttons and tabs to complete +all functions of the PyMol software without ever having to type +a single command. </longdescription> </pkgmetadata> diff --git a/sci-chemistry/shiftx2/metadata.xml b/sci-chemistry/shiftx2/metadata.xml index 6fee17f87..e35d2bc02 100644 --- a/sci-chemistry/shiftx2/metadata.xml +++ b/sci-chemistry/shiftx2/metadata.xml @@ -6,36 +6,36 @@ <name>Gentoo Chemistry Project</name> </maintainer> <longdescription> - SHIFTX2 predicts both the backbone and side chain 1H, 13C and 15N chemical - shifts for proteins using their structural (PDB) coordinates as input. - SHIFTX2 combines ensemble machine learning methods with sequence - alignment-based methods to calculate protein chemical shifts for - backbone - and side chain atoms. SHIFTX2 has been trained on a carefully selected - set of - 197 proteins and tested on a separate set of 61 proteins. Both the - training - and testing sets consisted of high resolution X-ray structures (less - 2.1A) - with carefully verified chemical shifts assignments. SHIFTX2 is able to - attain - correlation coefficients between experimentally observed and predicted - backbone chemical shifts of 0.9800 (15N), 0.9959 (13CA), 0.9992 (13CB), - 0.9676 (13CO), 0.9714 (1HN), 0.9744 (1HA) and RMS errors of 1.1169, 0.4412, - 0.5163, 0.5330, 0.1711, and 0.1231 ppm, respectively. Comparisons to - other - chemical shift predictors using the same testing data set indicates that - SHIFTX2 is substantially more accurate (up to 26% better by - correlation - coefficient with an RMS error that is up to 3.3X smaller) than any other - program. +SHIFTX2 predicts both the backbone and side chain 1H, 13C and 15N chemical +shifts for proteins using their structural (PDB) coordinates as input. +SHIFTX2 combines ensemble machine learning methods with sequence +alignment-based methods to calculate protein chemical shifts for +backbone +and side chain atoms. SHIFTX2 has been trained on a carefully selected +set of +197 proteins and tested on a separate set of 61 proteins. Both the +training +and testing sets consisted of high resolution X-ray structures (less +2.1A) +with carefully verified chemical shifts assignments. SHIFTX2 is able to +attain +correlation coefficients between experimentally observed and predicted +backbone chemical shifts of 0.9800 (15N), 0.9959 (13CA), 0.9992 (13CB), +0.9676 (13CO), 0.9714 (1HN), 0.9744 (1HA) and RMS errors of 1.1169, 0.4412, +0.5163, 0.5330, 0.1711, and 0.1231 ppm, respectively. Comparisons to +other +chemical shift predictors using the same testing data set indicates that +SHIFTX2 is substantially more accurate (up to 26% better by +correlation +coefficient with an RMS error that is up to 3.3X smaller) than any other +program. - Please cite the following: Beomsoo Han, Yifeng Liu, Simon Ginzinger, and - David Wishart. (2011) SHIFTX2: significantly improved protein chemical - shift - prediction. Journal of Biomolecular NMR, Volume 50, Number 1, 43-57. - doi: 10.1007/s10858-011-9478-4. - </longdescription> +Please cite the following: Beomsoo Han, Yifeng Liu, Simon Ginzinger, and +David Wishart. (2011) SHIFTX2: significantly improved protein chemical +shift +prediction. Journal of Biomolecular NMR, Volume 50, Number 1, 43-57. +doi: 10.1007/s10858-011-9478-4. +</longdescription> <use> <flag name="debug">Enables debug output in the shiftx2 java part</flag> </use> diff --git a/sci-chemistry/wxmacmolplt/metadata.xml b/sci-chemistry/wxmacmolplt/metadata.xml index 40ac1e07c..fdedec61f 100644 --- a/sci-chemistry/wxmacmolplt/metadata.xml +++ b/sci-chemistry/wxmacmolplt/metadata.xml @@ -6,16 +6,16 @@ <name>Gentoo Chemistry Project</name> </maintainer> <longdescription> - wxMacMolPlt is a program for plotting 3D molecular structures and normal - modes (vibrations), various orbitals and electron density maps. It reads a - variety of file formats including any GAMESS input, log or IRC file - directly to create animations. It has a simple GAMESS input (.inp) builder - and a primitive molecule builder. - </longdescription> +wxMacMolPlt is a program for plotting 3D molecular structures and normal +modes (vibrations), various orbitals and electron density maps. It reads a +variety of file formats including any GAMESS input, log or IRC file +directly to create animations. It has a simple GAMESS input (.inp) builder +and a primitive molecule builder. +</longdescription> <use> <flag name="flash"> - Add support for flash movie generation using <pkg>media-libs/ming</pkg> - </flag> +Add support for flash movie generation using <pkg>media-libs/ming</pkg> +</flag> </use> <upstream> <remote-id type="github">brettbode/wxmacmolplt</remote-id> |