summaryrefslogtreecommitdiff
path: root/python-glypy.spec
blob: e75911fb9f6cdfe3ff12e8b8448a0879c49be989 (plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
%global _empty_manifest_terminate_build 0
Name:		python-glypy
Version:	1.0.8
Release:	1
Summary:	A Glycoinformatics Toolkit
License:	Apache Software License
URL:		https://github.com/mobiusklein/glypy
Source0:	https://mirrors.nju.edu.cn/pypi/web/packages/96/44/c3146665f579c7cf33cd125dc2a8318c585ce1fd3bd3da060f7c1d26613b/glypy-1.0.8.tar.gz

Requires:	python3-hjson
Requires:	python3-six
Requires:	python3-requests
Requires:	python3-SPARQLWrapper
Requires:	python3-matplotlib
Requires:	python3-rdflib
Requires:	python3-requests
Requires:	python3-rdflib
Requires:	python3-SPARQLWrapper
Requires:	python3-matplotlib

%description
|https://img.shields.io/travis/mobiusklein/glypy.svg| |Documentation
Status|
Glycobiology is the study of the biological functions, properties, and
structures of carbohydrate biomolecules, also called *glycans*. These
large, tree-like molecules are complex, having a wide variety of
building blocks as well as modifications and substitutions on those
building blocks.
`glypy` is a Python library providing code for reading, writing, and
manipulating glycan structures, glycan compositions, monosaccharides, and
their substituents. It also includes interfaces to popular glycan structure
databases, `GlyTouCan <https://glytoucan.org/>`_ and `UnicarbKB <http://www.unicarbkb.org/>`_
using `SPARQL` queries and an RDF-object mapper.
Example Use Cases
~~~~~~~~~~~~~~~~~
1. Traverse structures using either canonical or residue-level rule
   ordering.
2. Operate on monosaccharide and substituents as nodes and bonds as
   edges.
3. Add, remove, and modify these structures to alter glycan properties.
4. Identify substructures and motifs, classifying glycans.
5. Evaluate structural similarities with one of several ordering and
   comparator methods.
6. Plot tree structures with MatPlotLib, rendering using a configurable
   symbol nomenclature, such as SNFG, CFG, or IUPAC. Layout using vector
   graphics for lossless scaling.
7. Calculate the mass of a native or derivatized glycan.
8. Generate glycosidic and cross ring cleavage fragments for a
   collection of glycan structures for performing MS/MS database search.
9. Perform substructure similarity searches with exact ordering or
   topological comparison and exact or fuzzy per-residue matching to
   classify a structure as an N-linked glycan.
10. Annotate MS spectra with glycan structures, labeling which peaks
    matched a database entry.
11. Download all N-Glycans from `GlyTouCan <https://glytoucan.org/>`__
12. Find all glycans in a list which contain a particular subtree, or
    find common subtrees in a database of glycans, performing treelet
    enrichment analysis.
13. Synthesize all possible glycans using a set of enzymes starting from
    a set of seed structures.
Citing
~~~~~~
If you use `glypy` in a publication please cite:
    Klein, J., & Zaia, J. (2019). glypy - An open source glycoinformatics library.
    Journal of Proteome Research.
    https://doi.org/10.1021/acs.jproteome.9b00367

%package -n python3-glypy
Summary:	A Glycoinformatics Toolkit
Provides:	python-glypy
BuildRequires:	python3-devel
BuildRequires:	python3-setuptools
BuildRequires:	python3-pip
BuildRequires:	python3-cffi
BuildRequires:	gcc
BuildRequires:	gdb
%description -n python3-glypy
|https://img.shields.io/travis/mobiusklein/glypy.svg| |Documentation
Status|
Glycobiology is the study of the biological functions, properties, and
structures of carbohydrate biomolecules, also called *glycans*. These
large, tree-like molecules are complex, having a wide variety of
building blocks as well as modifications and substitutions on those
building blocks.
`glypy` is a Python library providing code for reading, writing, and
manipulating glycan structures, glycan compositions, monosaccharides, and
their substituents. It also includes interfaces to popular glycan structure
databases, `GlyTouCan <https://glytoucan.org/>`_ and `UnicarbKB <http://www.unicarbkb.org/>`_
using `SPARQL` queries and an RDF-object mapper.
Example Use Cases
~~~~~~~~~~~~~~~~~
1. Traverse structures using either canonical or residue-level rule
   ordering.
2. Operate on monosaccharide and substituents as nodes and bonds as
   edges.
3. Add, remove, and modify these structures to alter glycan properties.
4. Identify substructures and motifs, classifying glycans.
5. Evaluate structural similarities with one of several ordering and
   comparator methods.
6. Plot tree structures with MatPlotLib, rendering using a configurable
   symbol nomenclature, such as SNFG, CFG, or IUPAC. Layout using vector
   graphics for lossless scaling.
7. Calculate the mass of a native or derivatized glycan.
8. Generate glycosidic and cross ring cleavage fragments for a
   collection of glycan structures for performing MS/MS database search.
9. Perform substructure similarity searches with exact ordering or
   topological comparison and exact or fuzzy per-residue matching to
   classify a structure as an N-linked glycan.
10. Annotate MS spectra with glycan structures, labeling which peaks
    matched a database entry.
11. Download all N-Glycans from `GlyTouCan <https://glytoucan.org/>`__
12. Find all glycans in a list which contain a particular subtree, or
    find common subtrees in a database of glycans, performing treelet
    enrichment analysis.
13. Synthesize all possible glycans using a set of enzymes starting from
    a set of seed structures.
Citing
~~~~~~
If you use `glypy` in a publication please cite:
    Klein, J., & Zaia, J. (2019). glypy - An open source glycoinformatics library.
    Journal of Proteome Research.
    https://doi.org/10.1021/acs.jproteome.9b00367

%package help
Summary:	Development documents and examples for glypy
Provides:	python3-glypy-doc
%description help
|https://img.shields.io/travis/mobiusklein/glypy.svg| |Documentation
Status|
Glycobiology is the study of the biological functions, properties, and
structures of carbohydrate biomolecules, also called *glycans*. These
large, tree-like molecules are complex, having a wide variety of
building blocks as well as modifications and substitutions on those
building blocks.
`glypy` is a Python library providing code for reading, writing, and
manipulating glycan structures, glycan compositions, monosaccharides, and
their substituents. It also includes interfaces to popular glycan structure
databases, `GlyTouCan <https://glytoucan.org/>`_ and `UnicarbKB <http://www.unicarbkb.org/>`_
using `SPARQL` queries and an RDF-object mapper.
Example Use Cases
~~~~~~~~~~~~~~~~~
1. Traverse structures using either canonical or residue-level rule
   ordering.
2. Operate on monosaccharide and substituents as nodes and bonds as
   edges.
3. Add, remove, and modify these structures to alter glycan properties.
4. Identify substructures and motifs, classifying glycans.
5. Evaluate structural similarities with one of several ordering and
   comparator methods.
6. Plot tree structures with MatPlotLib, rendering using a configurable
   symbol nomenclature, such as SNFG, CFG, or IUPAC. Layout using vector
   graphics for lossless scaling.
7. Calculate the mass of a native or derivatized glycan.
8. Generate glycosidic and cross ring cleavage fragments for a
   collection of glycan structures for performing MS/MS database search.
9. Perform substructure similarity searches with exact ordering or
   topological comparison and exact or fuzzy per-residue matching to
   classify a structure as an N-linked glycan.
10. Annotate MS spectra with glycan structures, labeling which peaks
    matched a database entry.
11. Download all N-Glycans from `GlyTouCan <https://glytoucan.org/>`__
12. Find all glycans in a list which contain a particular subtree, or
    find common subtrees in a database of glycans, performing treelet
    enrichment analysis.
13. Synthesize all possible glycans using a set of enzymes starting from
    a set of seed structures.
Citing
~~~~~~
If you use `glypy` in a publication please cite:
    Klein, J., & Zaia, J. (2019). glypy - An open source glycoinformatics library.
    Journal of Proteome Research.
    https://doi.org/10.1021/acs.jproteome.9b00367

%prep
%autosetup -n glypy-1.0.8

%build
%py3_build

%install
%py3_install
install -d -m755 %{buildroot}/%{_pkgdocdir}
if [ -d doc ]; then cp -arf doc %{buildroot}/%{_pkgdocdir}; fi
if [ -d docs ]; then cp -arf docs %{buildroot}/%{_pkgdocdir}; fi
if [ -d example ]; then cp -arf example %{buildroot}/%{_pkgdocdir}; fi
if [ -d examples ]; then cp -arf examples %{buildroot}/%{_pkgdocdir}; fi
pushd %{buildroot}
if [ -d usr/lib ]; then
	find usr/lib -type f -printf "/%h/%f\n" >> filelist.lst
fi
if [ -d usr/lib64 ]; then
	find usr/lib64 -type f -printf "/%h/%f\n" >> filelist.lst
fi
if [ -d usr/bin ]; then
	find usr/bin -type f -printf "/%h/%f\n" >> filelist.lst
fi
if [ -d usr/sbin ]; then
	find usr/sbin -type f -printf "/%h/%f\n" >> filelist.lst
fi
touch doclist.lst
if [ -d usr/share/man ]; then
	find usr/share/man -type f -printf "/%h/%f.gz\n" >> doclist.lst
fi
popd
mv %{buildroot}/filelist.lst .
mv %{buildroot}/doclist.lst .

%files -n python3-glypy -f filelist.lst
%dir %{python3_sitearch}/*

%files help -f doclist.lst
%{_docdir}/*

%changelog
* Wed May 10 2023 Python_Bot <Python_Bot@openeuler.org> - 1.0.8-1
- Package Spec generated