[amp] 02/18: Added debian/ directory.
Muammar El Khatib
muammar at moszumanska.debian.org
Mon Jul 31 19:59:40 UTC 2017
This is an automated email from the git hooks/post-receive script.
muammar pushed a commit to branch master
in repository amp.
commit ae055f60787a58bb659aae466c40207d88877d5e
Author: Muammar El Khatib <muammarelkhatib at gmail.com>
Date: Sat Jul 29 15:53:31 2017 -0400
Added debian/ directory.
---
debian/changelog | 5 +++
debian/compat | 1 +
debian/control | 76 +++++++++++++++++++++++++++++++++++++++++++++
debian/copyright | 30 ++++++++++++++++++
debian/python-amp.pyinstall | 6 ++++
debian/rules | 49 +++++++++++++++++++++++++++++
debian/source/format | 1 +
7 files changed, 168 insertions(+)
diff --git a/debian/changelog b/debian/changelog
new file mode 100644
index 0000000..f0615cb
--- /dev/null
+++ b/debian/changelog
@@ -0,0 +1,5 @@
+amp (0.6~20170729-1) unstable; urgency=medium
+
+ * Initial release (Closes: #790803)
+
+ -- Muammar El Khatib <muammar at debian.org> Thu, 15 Dec 2016 18:27:27 -0500
diff --git a/debian/compat b/debian/compat
new file mode 100644
index 0000000..ec63514
--- /dev/null
+++ b/debian/compat
@@ -0,0 +1 @@
+9
diff --git a/debian/control b/debian/control
new file mode 100644
index 0000000..29c21aa
--- /dev/null
+++ b/debian/control
@@ -0,0 +1,76 @@
+Source: amp
+Maintainer: Muammar El Khatib <muammar at debian.org>
+Section: python
+Priority: optional
+Build-Depends: debhelper (>= 9),
+ dh-python,
+ gfortran,
+ python-all-dev (>= 2.6.6-3~),
+ python-ase (>= 3.9.0~),
+ python-matplotlib,
+ python-nose,
+ python-numpy,
+ python-scipy,
+ python-setuptools,
+ python-pexpect,
+ python-zmq,
+ python3-all-dev,
+ python3-ase (>= 3.9.0~),
+ python3-matplotlib,
+ python3-nose,
+ python3-numpy,
+ python3-scipy,
+ python3-setuptools,
+ python3-pexpect,
+ python3-zmq
+X-Python-Version: >= 2.6
+Standards-Version: 3.9.6
+Homepage: https://bitbucket.org/andrewpeterson/amp
+
+Package: python-amp
+Architecture: any
+Depends: python-ase (>= 3.9.0~),
+ python-scipy,
+ ${misc:Depends},
+ ${python:Depends},
+ ${shlibs:Depends}
+Recommends: python-matplotlib
+Breaks: ${python:Breaks}
+Description: Atomistic Machine-learning Package
+ Amp is an open-source package designed to easily bring machine-learning to
+ atomistic calculations. This project is being developed at Brown University in
+ the School of Engineering, primarily by Andrew Peterson and Alireza Khorshidi,
+ and is released under the GNU General Public License. Amp allows for the
+ modular representation of the potential energy surface, allowing the user to
+ specify or create descriptor and regression methods.
+ .
+ Amp is designed to integrate closely with the Atomic Simulation Environment
+ (ASE). As such, the interface is in pure python, although several
+ compute-heavy parts of the underlying code also have fortran versions to
+ accelerate the calculations. The close integration with ASE means that any
+ calculator that works with ASE ─ including EMT, GPAW, DACAPO, VASP, NWChem,
+ and Gaussian ─ can easily be used as the parent method.
+
+Package: python3-amp
+Architecture: any
+Depends: python3-ase (>= 3.9.0~),
+ python3-scipy,
+ ${misc:Depends},
+ ${python:Depends},
+ ${shlibs:Depends}
+Recommends: python3-matplotlib
+Breaks: ${python:Breaks}
+Description: Atomistic Machine-learning Package
+ Amp is an open-source package designed to easily bring machine-learning to
+ atomistic calculations. This project is being developed at Brown University in
+ the School of Engineering, primarily by Andrew Peterson and Alireza Khorshidi,
+ and is released under the GNU General Public License. Amp allows for the
+ modular representation of the potential energy surface, allowing the user to
+ specify or create descriptor and regression methods.
+ .
+ Amp is designed to integrate closely with the Atomic Simulation Environment
+ (ASE). As such, the interface is in pure python, although several
+ compute-heavy parts of the underlying code also have fortran versions to
+ accelerate the calculations. The close integration with ASE means that any
+ calculator that works with ASE ─ including EMT, GPAW, DACAPO, VASP, NWChem,
+ and Gaussian ─ can easily be used as the parent method.
diff --git a/debian/copyright b/debian/copyright
new file mode 100644
index 0000000..8c66dd8
--- /dev/null
+++ b/debian/copyright
@@ -0,0 +1,30 @@
+Format: http://www.debian.org/doc/packaging-manuals/copyright-format/1.0/
+Upstream-Name: neural
+Upstream-Contact: Andrew Peterson <andrew_peterson at brown.edu>
+Source: https://bitbucket.org/andrewpeterson/neural/
+
+Files: *
+Copyright: 2014-2015 Andrew Peterson <andrew_peterson at brown.edu>
+ 2014-2015 Alireza Khorshidi <alireza_khorshidi at brown.edu>
+License: GPL-3.0+
+
+Files: debian/*
+Copyright: 2015 Graham Inggs <graham at nerve.org.za>
+License: GPL-3.0+
+
+License: GPL-3.0+
+ This program is free software: you can redistribute it and/or modify
+ it under the terms of the GNU General Public License as published by
+ the Free Software Foundation, either version 3 of the License, or
+ (at your option) any later version.
+ .
+ This package is distributed in the hope that it will be useful,
+ but WITHOUT ANY WARRANTY; without even the implied warranty of
+ MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+ GNU General Public License for more details.
+ .
+ You should have received a copy of the GNU General Public License
+ along with this program. If not, see <http://www.gnu.org/licenses/>.
+ .
+ On Debian systems, the complete text of the GNU General
+ Public License version 3 can be found in "/usr/share/common-licenses/GPL-3".
diff --git a/debian/python-amp.pyinstall b/debian/python-amp.pyinstall
new file mode 100644
index 0000000..ac71b0d
--- /dev/null
+++ b/debian/python-amp.pyinstall
@@ -0,0 +1,6 @@
+amp/*.py
+amp/descriptor/*.py
+amp/model/*.py
+amp/regression/*.py
+amp/*.so
+tests/*.py
diff --git a/debian/rules b/debian/rules
new file mode 100755
index 0000000..26d4430
--- /dev/null
+++ b/debian/rules
@@ -0,0 +1,49 @@
+#!/usr/bin/make -f
+
+export DEB_FFLAGS_MAINT_APPEND=-fPIC
+export DEB_LDFLAGS_MAINT_APPEND=-shared
+
+GIT='https://bitbucket.org/andrewpeterson/amp'
+# The full changelog version number, used for the orig.tar.gz
+VER=$(shell dpkg-parsechangelog -ldebian/changelog -SVersion | cut -d- -f1)
+
+%:
+ dh $@ --with python2,python3
+
+override_dh_auto_build:
+ cd $(CURDIR)/amp/model; \
+ gfortran -c neuralnetwork.f90; \
+ mv neuralnetwork.mod $(CURDIR)/amp/; \
+ cd $(CURDIR)/amp/; \
+ make python2
+ cd $(CURDIR)/amp/; \
+ make python3
+
+override_dh_python2:
+ dh_python2
+ dh_python3
+ dh_numpy
+
+override_dh_auto_test:
+ cd $(CURDIR)/amp/; \
+ make py2tests
+ cd $(CURDIR)/amp/; \
+ make py3tests
+
+override_dh_auto_clean:
+ dh_auto_clean
+ rm -rf BPnoforce_test BP_test cartesian_test neural/fmodules.so
+ find . -name "*.json" -delete
+ find . -name "*-train-log.txt" -delete
+ find . -name "*.pyc" -delete
+ find . -name "*.o" -delete
+ find . -name "*.mod" -delete
+
+get-orig-source:
+ rm -rf amp-$(VER)
+ git clone $(GIT) amp-$(VER)
+ cd amp-$(VER)
+ git archive --format=tar --prefix=amp-$(VER)/ HEAD > amp_$(VER).orig.tar
+ gzip --best amp_$(VER).orig.tar
+ mv amp_$(VER).orig.tar.gz ..
+ rm -rf amp-$(VER)
diff --git a/debian/source/format b/debian/source/format
new file mode 100644
index 0000000..163aaf8
--- /dev/null
+++ b/debian/source/format
@@ -0,0 +1 @@
+3.0 (quilt)
--
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