summaryrefslogtreecommitdiff
diff options
context:
space:
mode:
authorCoprDistGit <infra@openeuler.org>2023-05-15 07:59:21 +0000
committerCoprDistGit <infra@openeuler.org>2023-05-15 07:59:21 +0000
commit465245b38b155f0d489511ed380e2b5aa60b3948 (patch)
tree3b430fe51690e22ae902864355f040c01591a784
parent279c5cb604f7bfb5f728e024e61c44f1e035e1e1 (diff)
automatic import of python-tb2j
-rw-r--r--.gitignore1
-rw-r--r--python-tb2j.spec85
-rw-r--r--sources1
3 files changed, 87 insertions, 0 deletions
diff --git a/.gitignore b/.gitignore
index e69de29..febbf95 100644
--- a/.gitignore
+++ b/.gitignore
@@ -0,0 +1 @@
+/TB2J-0.7.6.1.tar.gz
diff --git a/python-tb2j.spec b/python-tb2j.spec
new file mode 100644
index 0000000..683c07f
--- /dev/null
+++ b/python-tb2j.spec
@@ -0,0 +1,85 @@
+%global _empty_manifest_terminate_build 0
+Name: python-TB2J
+Version: 0.7.6.1
+Release: 1
+Summary: TB2J: First principle to Heisenberg exchange J using tight-binding Green function method
+License: BSD-2-clause
+URL: https://pypi.org/project/TB2J/
+Source0: https://mirrors.nju.edu.cn/pypi/web/packages/5b/22/ced169fdd3576ff9eece01647db12b30982197b770bcc43ca8acb2f00957/TB2J-0.7.6.1.tar.gz
+BuildArch: noarch
+
+Requires: python3-ase
+Requires: python3-matplotlib
+Requires: python3-numpy
+Requires: python3-packaging
+Requires: python3-pathos
+Requires: python3-scipy
+Requires: python3-tqdm
+
+%description
+TB2J is a Python package aimed to compute automatically the magnetic interactions (superexchange and Dzyaloshinskii-Moriya) between atoms of magnetic crystals from DFT Hamiltonian based on Wannier functions or Linear combination of atomic orbitals. It uses the Green's function method and take the local rigid spin rotation as a perturbation. The package can take the output from Wannier90, which is interfaced with many density functional theory codes or from codes based on localised orbitals. A minimal user input is needed, which allows for an easily integration into a high-throughput workflows.
+
+
+
+%package -n python3-TB2J
+Summary: TB2J: First principle to Heisenberg exchange J using tight-binding Green function method
+Provides: python-TB2J
+BuildRequires: python3-devel
+BuildRequires: python3-setuptools
+BuildRequires: python3-pip
+%description -n python3-TB2J
+TB2J is a Python package aimed to compute automatically the magnetic interactions (superexchange and Dzyaloshinskii-Moriya) between atoms of magnetic crystals from DFT Hamiltonian based on Wannier functions or Linear combination of atomic orbitals. It uses the Green's function method and take the local rigid spin rotation as a perturbation. The package can take the output from Wannier90, which is interfaced with many density functional theory codes or from codes based on localised orbitals. A minimal user input is needed, which allows for an easily integration into a high-throughput workflows.
+
+
+
+%package help
+Summary: Development documents and examples for TB2J
+Provides: python3-TB2J-doc
+%description help
+TB2J is a Python package aimed to compute automatically the magnetic interactions (superexchange and Dzyaloshinskii-Moriya) between atoms of magnetic crystals from DFT Hamiltonian based on Wannier functions or Linear combination of atomic orbitals. It uses the Green's function method and take the local rigid spin rotation as a perturbation. The package can take the output from Wannier90, which is interfaced with many density functional theory codes or from codes based on localised orbitals. A minimal user input is needed, which allows for an easily integration into a high-throughput workflows.
+
+
+
+%prep
+%autosetup -n TB2J-0.7.6.1
+
+%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-TB2J -f filelist.lst
+%dir %{python3_sitelib}/*
+
+%files help -f doclist.lst
+%{_docdir}/*
+
+%changelog
+* Mon May 15 2023 Python_Bot <Python_Bot@openeuler.org> - 0.7.6.1-1
+- Package Spec generated
diff --git a/sources b/sources
new file mode 100644
index 0000000..251c035
--- /dev/null
+++ b/sources
@@ -0,0 +1 @@
+1b9686ac2ff1d4e83897977d09f2db7d TB2J-0.7.6.1.tar.gz