New entry point in package.

A module (cli.py) is used to provide an entry point for the msspec
package. It is here to be PEX-compatible (https://github.com/pantsbuild/pex)
that may be used to provide a zero-install msspec distribution.

.gitignore

@@ -13,3 +13,5 @@ src/msspec/results.txt
 **/*build/
 **/*dist/
 **/*.egg-info/
+.ropeproject
+.project

src/MANIFEST.in

@@ -3,3 +3,4 @@ recursive-include . SConstruct
 include setup_requirements.txt
 include requirements.txt
 include pip.freeze
+include VERSION

src/SConstruct

@@ -1,5 +1,8 @@
 import os
 import subprocess
+import datetime
+from pkg_resources import parse_version
+from setuptools_scm import get_version
 
 ###############################################################################
 def filtered_glob(env, pattern, omit=[],
@@ -30,13 +33,30 @@ def install_module(env, module):
     env.Alias('install', destdir)
     return None
 
+def version_action(target, source, env):
+    with open(str(target[0]), 'w') as fd:
+        v = get_version(root='../', relative_to='./', version_scheme="post-release")
+        v = parse_version(v)
+        if v._version.post[-1] == 0:
+            version = v.base_version
+        else:
+            version = v.public
+        fd.write(version + '\n')
+        now = datetime.datetime.now().isoformat()
+        fd.write(f'compiled on {now}\n')
+        p = subprocess.run([env['FORTRAN'], "--version"], stdout=subprocess.PIPE)
+        fd.write(p.stdout.decode('utf8'))
+
+
 f2py_bld = Builder(generator=f2py_generator)
+version_bld = Builder(action=version_action)
 
 # define the default build environment
 std  = Environment(tools=['default', 'fortran'], F2PY_OPTS=[], LIBS=[])
 std.AddMethod(filtered_glob, "FilteredGlob")
 std.AddMethod(install_module, "InstallModule")
 std['BUILDERS']['F2py'] = f2py_bld
+std['BUILDERS']['Version'] = version_bld
 
 ###############################################################################
 
@@ -96,7 +116,8 @@ if GetOption('verbose'):
 
 
 Export('env')
-#SConscript('msspec/spec/fortran/SConstruct')
-#SConscript('msspec/phagen/fortran/SConstruct')
 SConscript('msspec/spec/fortran/SConstruct', variant_dir='build/build_spec')
 SConscript('msspec/phagen/fortran/SConstruct', variant_dir='build/build_phagen')
+
+version_file = env.Version('VERSION', [])
+Depends(version_file, "install")

src/msspec/cli.py

@@ -0,0 +1,71 @@
+#!/usr/bin/env python
+#
+# Copyright © 2016-2020 - Rennes Physics Institute
+#
+# This file is part of msspec.
+#
+# msspec 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.
+
+# msspec 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 msspec.  If not, see <http://www.gnu.org/licenses/>.
+#
+# Source file  : src/msspec/cli.py
+# Last modified: jeu. 04 juin 2020 16:54:12
+# Committed by : "Sylvain Tricot <sylvain.tricot@univ-rennes1.fr>"
+
+
+import sys
+import textwrap
+import subprocess
+from msspec.iodata import Data
+from pip._internal.cli.main import main as pipmain
+
+
+def print_info():
+    s = textwrap.dedent("""
+        This application is a take-away Python environment
+        to run msspec.
+
+        Below is a list of all packages bundled with this
+        interpreter.
+        """)
+    print(s)
+    pipmain(['list'])
+    s = textwrap.dedent("""
+        To run a script with this interpreter, please launch
+        this application with your script as an argument.
+
+        I let you with the interactive environment. Type in
+        <CTRL>+D to exit.
+
+        """)
+    print(s)
+
+def load_py(*args):
+    subprocess.run(['python'] + list(args))
+
+def load_hdf5(fname):
+    data = Data.load(fname)
+    data.view()
+
+
+def main():
+    argv = sys.argv
+    argc = len(argv)
+    if argc > 1:
+        if argv[1].endswith('.hdf5'):
+            load_hdf5(argv[1])
+        else:
+            load_py(*argv[1:])
+    else:
+        print_info()
+        subprocess.run(['ipython', '--profile=msspec'])
+        exit()

src/msspec/version.py

@@ -25,14 +25,14 @@ import os
 from pkg_resources import DistributionNotFound
 from pkg_resources import get_distribution
 from pkg_resources import parse_version
-from setuptools_scm import get_version
-
 
 # find the version number
 # 1- Try to read it from the git info
 # 2- If it fails, try to read it from the distribution file
+# 3- If it fails, try to read it from the VERSION file
 
 try:
+    from setuptools_scm import get_version
     v = get_version(root='../../', relative_to=__file__, version_scheme="post-release")
     v = parse_version(v)
     if v._version.post[-1] == 0:
@@ -42,6 +42,10 @@ try:
 except Exception as err:
     try:
         __version__ = get_distribution(__name__.strip('.version')).version
+    except Exception as err:
+        try:
+            with open("../VERSION", "r") as fd:
+                __version__ = fd.readline()
         except Exception as err:
             print("Unable to get the version number!")
             __version__ = "9.9.9"

src/pip.freeze

@@ -54,3 +54,4 @@ traitlets==4.3.3
 urllib3==1.25.8
 wcwidth==0.1.9
 wheel==0.34.2
+wxPython@https://extras.wxpython.org/wxPython4/extras/linux/gtk3/ubuntu-18.04/wxPython-4.0.7.post2-cp36-cp36m-linux_x86_64.whl

src/setup.py

@@ -24,17 +24,7 @@
 import sys
 sys.path.insert(0, "msspec")
 from setuptools import setup, find_packages
-try:
-    from version import __version__
-except Exception as err:
-    __version__ = "8.8.8"
-
-
-with open('setup_requirements.txt', 'r') as fd:
-    SETUP_REQUIREMENTS = fd.read().strip().split('\n')
-
-with open('requirements.txt', 'r') as fd:
-    REQUIREMENTS = fd.read().strip().split('\n')
+from version import __version__
 
 with open('pip.freeze', 'r') as fd:
     REQUIREMENTS = fd.read().strip().split('\n')
@@ -83,4 +73,6 @@ if __name__ == "__main__":
           ],
           keywords='spectroscopy atom electron photon multiple scattering',
           license='GPL',
+          entry_points={
+              'console_scripts': ['msspec=msspec.cli:main']}
           )