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authorJustin Lecher <jlec@gentoo.org>2017-11-18 21:01:49 +0000
committerJustin Lecher <jlec@gentoo.org>2017-11-18 21:01:49 +0000
commit1e04d5868f177eb639f03889b59d2cba00206578 (patch)
tree46f0172586bf1144dbdea461acd7d5c87dbaeb51 /sci-chemistry
parentConsistently ident with tabs (diff)
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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.xml4
-rw-r--r--sci-chemistry/erkale/metadata.xml16
-rw-r--r--sci-chemistry/freeon/metadata.xml4
-rw-r--r--sci-chemistry/gnome-chemistry-utils/metadata.xml6
-rw-r--r--sci-chemistry/nwchem/metadata.xml26
-rw-r--r--sci-chemistry/openbabel-java/metadata.xml12
-rw-r--r--sci-chemistry/openbabel-perl/metadata.xml12
-rw-r--r--sci-chemistry/openbabel-python/metadata.xml12
-rw-r--r--sci-chemistry/openbabel-ruby/metadata.xml12
-rw-r--r--sci-chemistry/openbabel/metadata.xml10
-rw-r--r--sci-chemistry/panav/metadata.xml6
-rw-r--r--sci-chemistry/pymol-plugins-ezviz/metadata.xml18
-rw-r--r--sci-chemistry/shiftx2/metadata.xml58
-rw-r--r--sci-chemistry/wxmacmolplt/metadata.xml16
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>