From d6761b5d22e736ed2d7cf214c849a66ccce20b1c Mon Sep 17 00:00:00 2001
From: Giovanni Bussi <giovanni.bussi@gmail.com>
Date: Wed, 28 Nov 2018 10:18:11 +0100
Subject: [PATCH] Added pypi suff
I added some material needed for pypi packaging.
---
python/.gitignore | 2 ++
python/MANIFEST.in | 2 ++
python/Makefile | 15 ++++++++++++++-
python/README.rst | 17 +++++++++++++++++
python/setup.py | 18 ++++++++++++++++++
5 files changed, 53 insertions(+), 1 deletion(-)
create mode 100644 python/MANIFEST.in
create mode 100644 python/README.rst
diff --git a/python/.gitignore b/python/.gitignore
index aec6832f7..e51cd70d2 100644
--- a/python/.gitignore
+++ b/python/.gitignore
@@ -8,3 +8,5 @@
!/README
!/module.type
!/test
+!/MANIFEST.in
+!/README.rst
diff --git a/python/MANIFEST.in b/python/MANIFEST.in
new file mode 100644
index 000000000..8517867e7
--- /dev/null
+++ b/python/MANIFEST.in
@@ -0,0 +1,2 @@
+include VERSION
+include Plumed.h
diff --git a/python/Makefile b/python/Makefile
index 488b2e924..0bfbf9f4f 100644
--- a/python/Makefile
+++ b/python/Makefile
@@ -39,5 +39,18 @@ pip:
cp ../src/wrapper/Plumed.h .
cp ../VERSION .
+ifndef python_bin
+python_bin=python
+endif
+
+.PHONY: pypi
+
+pypi:
+ mkdir -p pypi
+ cp -r test pypi/
+ cp ../src/wrapper/Plumed.h README.rst MANIFEST.in cplumed.pxd plumed.pyx setup.py ../VERSION pypi/
+ cd pypi ; $(python_bin) setup.py sdist
+ echo "now use: $(python_bin) -m twine upload dist/plumed-$(VERSION).tar.gz"
+
clean:
- rm -fr *.so plumed.cpp build Plumed.h VERSION
+ rm -fr *.so plumed.cpp build Plumed.h VERSION pypi test/logfile test/bck* pypi
diff --git a/python/README.rst b/python/README.rst
new file mode 100644
index 000000000..210ce3e13
--- /dev/null
+++ b/python/README.rst
@@ -0,0 +1,17 @@
+Python wrappers for plumed
+==========================
+
+Install using the following commands::
+
+ # install dependencies
+ python -m pip install cython numpy
+ # install plumed
+ python -m pip install plumed
+
+WARNING: You will need to also build and install the plumed library (see http://www.plumed.org) and set the environment variable
+`PLUMED_KERNEL` to point to the file `libplumedKernel.so` (or `libplumedKernel.dylib`). Something like this should work::
+
+ PLUMED_KERNEL=/path/to/libplumedKernel.so
+ python
+ >>> import plumed
+ >>> p=plumed.Plumed()
diff --git a/python/setup.py b/python/setup.py
index 0c6f16a89..ffc5fbef6 100644
--- a/python/setup.py
+++ b/python/setup.py
@@ -70,10 +70,28 @@ try:
except:
include_dirs.append(".")
+def readme():
+ with open('README.rst') as f:
+ return f.read()
+
setup(
name=plumedname,
version=plumedversion,
description='Python interface to PLUMED',
+ long_description=readme(),
+ classifiers=[
+ 'Development Status :: 4 - Beta',
+ 'Intended Audience :: Science/Research',
+ 'Topic :: Scientific/Engineering :: Bio-Informatics',
+ 'Topic :: Scientific/Engineering :: Chemistry',
+ 'Topic :: Scientific/Engineering :: Physics',
+ 'License :: OSI Approved :: GNU Lesser General Public License v3 (LGPLv3)',
+ 'Programming Language :: Python :: 2',
+ 'Programming Language :: Python :: 2.7',
+ 'Programming Language :: Python :: 3',
+ 'Programming Language :: Python :: 3.6',
+ 'Programming Language :: Python :: 3.7',
+ ],
author='Gareth A. Tribello',
author_email='plumed-users@googlegroups.com',
url='http://www.plumed.org',
--
GitLab