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author | CoprDistGit <infra@openeuler.org> | 2023-05-15 04:18:42 +0000 |
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committer | CoprDistGit <infra@openeuler.org> | 2023-05-15 04:18:42 +0000 |
commit | c09be0147ec939654290db21655077b557ae8dd5 (patch) | |
tree | 1cf88c2cad48f1316bd856ab9f53d78a7c854156 /python-rcsb-utils-chem.spec | |
parent | 3b860c95548d22fb905497b6765ad9832bec7ff8 (diff) |
automatic import of python-rcsb-utils-chem
Diffstat (limited to 'python-rcsb-utils-chem.spec')
-rw-r--r-- | python-rcsb-utils-chem.spec | 201 |
1 files changed, 201 insertions, 0 deletions
diff --git a/python-rcsb-utils-chem.spec b/python-rcsb-utils-chem.spec new file mode 100644 index 0000000..2fd9e9d --- /dev/null +++ b/python-rcsb-utils-chem.spec @@ -0,0 +1,201 @@ +%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 + +[](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 + +[](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 + +[](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 |