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| -rw-r--r-- | .gitignore | 1 | ||||
| -rw-r--r-- | python-pubchempy.spec | 99 | ||||
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@@ -0,0 +1 @@ +/PubChemPy-1.0.4.tar.gz diff --git a/python-pubchempy.spec b/python-pubchempy.spec new file mode 100644 index 0000000..a9d9fb5 --- /dev/null +++ b/python-pubchempy.spec @@ -0,0 +1,99 @@ +%global _empty_manifest_terminate_build 0 +Name: python-PubChemPy +Version: 1.0.4 +Release: 1 +Summary: A simple Python wrapper around the PubChem PUG REST API. +License: MIT +URL: https://github.com/mcs07/PubChemPy +Source0: https://mirrors.nju.edu.cn/pypi/web/packages/aa/fb/8de3aa9804b614dbc8dc5c16ed061d819cc360e0ddecda3dcd01c1552339/PubChemPy-1.0.4.tar.gz +BuildArch: noarch + + +%description +PubChemPy provides a way to interact with PubChem in Python. It allows chemical searches by name, substructure and +similarity, chemical standardization, conversion between chemical file formats, depiction and retrieval of chemical +properties. + >>> from pubchempy import get_compounds, Compound + >>> comp = Compound.from_cid(1423) + >>> print(comp.isomeric_smiles) + CCCCCCCNC1CCCC1CCCCCCC(=O)O + >>> comps = get_compounds('Aspirin', 'name') + >>> print(comps[0].xlogp) + 1.2 + +%package -n python3-PubChemPy +Summary: A simple Python wrapper around the PubChem PUG REST API. +Provides: python-PubChemPy +BuildRequires: python3-devel +BuildRequires: python3-setuptools +BuildRequires: python3-pip +%description -n python3-PubChemPy +PubChemPy provides a way to interact with PubChem in Python. It allows chemical searches by name, substructure and +similarity, chemical standardization, conversion between chemical file formats, depiction and retrieval of chemical +properties. + >>> from pubchempy import get_compounds, Compound + >>> comp = Compound.from_cid(1423) + >>> print(comp.isomeric_smiles) + CCCCCCCNC1CCCC1CCCCCCC(=O)O + >>> comps = get_compounds('Aspirin', 'name') + >>> print(comps[0].xlogp) + 1.2 + +%package help +Summary: Development documents and examples for PubChemPy +Provides: python3-PubChemPy-doc +%description help +PubChemPy provides a way to interact with PubChem in Python. It allows chemical searches by name, substructure and +similarity, chemical standardization, conversion between chemical file formats, depiction and retrieval of chemical +properties. + >>> from pubchempy import get_compounds, Compound + >>> comp = Compound.from_cid(1423) + >>> print(comp.isomeric_smiles) + CCCCCCCNC1CCCC1CCCCCCC(=O)O + >>> comps = get_compounds('Aspirin', 'name') + >>> print(comps[0].xlogp) + 1.2 + +%prep +%autosetup -n PubChemPy-1.0.4 + +%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-PubChemPy -f filelist.lst +%dir %{python3_sitelib}/* + +%files help -f doclist.lst +%{_docdir}/* + +%changelog +* Tue Apr 11 2023 Python_Bot <Python_Bot@openeuler.org> - 1.0.4-1 +- Package Spec generated @@ -0,0 +1 @@ +95343bfd5304e5f660b67de61dea33c1 PubChemPy-1.0.4.tar.gz |