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authorCoprDistGit <infra@openeuler.org>2023-05-15 04:18:42 +0000
committerCoprDistGit <infra@openeuler.org>2023-05-15 04:18:42 +0000
commitc09be0147ec939654290db21655077b557ae8dd5 (patch)
tree1cf88c2cad48f1316bd856ab9f53d78a7c854156 /python-rcsb-utils-chem.spec
parent3b860c95548d22fb905497b6765ad9832bec7ff8 (diff)
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+%global _empty_manifest_terminate_build 0
+Name: python-rcsb.utils.chem
+Version: 0.77
+Release: 1
+Summary: RCSB Python Chemical Utility Classes
+License: Apache 2.0
+URL: https://github.com/rcsb/py-rcsb_utils_chem
+Source0: https://mirrors.nju.edu.cn/pypi/web/packages/8a/33/020e48d7babc7f463e2247f3560cca1fe6c9809ec2158fe50f5f08c0bf5d/rcsb.utils.chem-0.77.tar.gz
+BuildArch: noarch
+
+
+%description
+# py-rcsb_utils_chem
+
+[![Build Status](https://dev.azure.com/rcsb/RCSB%20PDB%20Python%20Projects/_apis/build/status/rcsb.py-rcsb_utils_chem?branchName=master)](https://dev.azure.com/rcsb/RCSB%20PDB%20Python%20Projects/_build/latest?definitionId=20&branchName=master)
+
+RCSB Python tools for accessing and annotating PDB chemical components definitions.
+
+## Introduction
+
+Utilities for managing, comparing and searching PDB chemical component definitions.
+This module has internal dependencies on: OpenEye OECHEM toolkits, RDKIT,
+OpenBabel/Pybel, and CACTVS. These dependencies require separate installation
+that is described with each chemical package.
+
+### Installation
+
+Download the library source software from the project repository:
+
+```bash
+
+git clone --recurse-submodules https://github.com/rcsb/py-rcsb_utils_chem.git
+
+```
+
+Optionally, run test suite (Python versions 3.8) using
+[setuptools](https://setuptools.readthedocs.io/en/latest/) or
+[tox](http://tox.readthedocs.io/en/latest/example/platform.html):
+
+```bash
+
+ pip install -r requirements.txt
+ python setup.py test
+
+or simply run:
+
+ tox
+```
+
+Installation is via the program [pip](https://pypi.python.org/pypi/pip). To run tests
+from the source tree, the package must be installed in editable mode (i.e. -e):
+
+```bash
+pip install -e .
+```
+
+
+%package -n python3-rcsb.utils.chem
+Summary: RCSB Python Chemical Utility Classes
+Provides: python-rcsb.utils.chem
+BuildRequires: python3-devel
+BuildRequires: python3-setuptools
+BuildRequires: python3-pip
+%description -n python3-rcsb.utils.chem
+# py-rcsb_utils_chem
+
+[![Build Status](https://dev.azure.com/rcsb/RCSB%20PDB%20Python%20Projects/_apis/build/status/rcsb.py-rcsb_utils_chem?branchName=master)](https://dev.azure.com/rcsb/RCSB%20PDB%20Python%20Projects/_build/latest?definitionId=20&branchName=master)
+
+RCSB Python tools for accessing and annotating PDB chemical components definitions.
+
+## Introduction
+
+Utilities for managing, comparing and searching PDB chemical component definitions.
+This module has internal dependencies on: OpenEye OECHEM toolkits, RDKIT,
+OpenBabel/Pybel, and CACTVS. These dependencies require separate installation
+that is described with each chemical package.
+
+### Installation
+
+Download the library source software from the project repository:
+
+```bash
+
+git clone --recurse-submodules https://github.com/rcsb/py-rcsb_utils_chem.git
+
+```
+
+Optionally, run test suite (Python versions 3.8) using
+[setuptools](https://setuptools.readthedocs.io/en/latest/) or
+[tox](http://tox.readthedocs.io/en/latest/example/platform.html):
+
+```bash
+
+ pip install -r requirements.txt
+ python setup.py test
+
+or simply run:
+
+ tox
+```
+
+Installation is via the program [pip](https://pypi.python.org/pypi/pip). To run tests
+from the source tree, the package must be installed in editable mode (i.e. -e):
+
+```bash
+pip install -e .
+```
+
+
+%package help
+Summary: Development documents and examples for rcsb.utils.chem
+Provides: python3-rcsb.utils.chem-doc
+%description help
+# py-rcsb_utils_chem
+
+[![Build Status](https://dev.azure.com/rcsb/RCSB%20PDB%20Python%20Projects/_apis/build/status/rcsb.py-rcsb_utils_chem?branchName=master)](https://dev.azure.com/rcsb/RCSB%20PDB%20Python%20Projects/_build/latest?definitionId=20&branchName=master)
+
+RCSB Python tools for accessing and annotating PDB chemical components definitions.
+
+## Introduction
+
+Utilities for managing, comparing and searching PDB chemical component definitions.
+This module has internal dependencies on: OpenEye OECHEM toolkits, RDKIT,
+OpenBabel/Pybel, and CACTVS. These dependencies require separate installation
+that is described with each chemical package.
+
+### Installation
+
+Download the library source software from the project repository:
+
+```bash
+
+git clone --recurse-submodules https://github.com/rcsb/py-rcsb_utils_chem.git
+
+```
+
+Optionally, run test suite (Python versions 3.8) using
+[setuptools](https://setuptools.readthedocs.io/en/latest/) or
+[tox](http://tox.readthedocs.io/en/latest/example/platform.html):
+
+```bash
+
+ pip install -r requirements.txt
+ python setup.py test
+
+or simply run:
+
+ tox
+```
+
+Installation is via the program [pip](https://pypi.python.org/pypi/pip). To run tests
+from the source tree, the package must be installed in editable mode (i.e. -e):
+
+```bash
+pip install -e .
+```
+
+
+%prep
+%autosetup -n rcsb.utils.chem-0.77
+
+%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-rcsb.utils.chem -f filelist.lst
+%dir %{python3_sitelib}/*
+
+%files help -f doclist.lst
+%{_docdir}/*
+
+%changelog
+* Mon May 15 2023 Python_Bot <Python_Bot@openeuler.org> - 0.77-1
+- Package Spec generated