Merge branch 'release/0.1.3'

0.1.2

README.md

@@ -0,0 +1,86 @@
+Building MsSpec_DFM
+===================
+
+To build MsSpec_DFM, you need a fortran compiler (gfortran), python > 3.6 and pip
+
+Getting the source code
+-----------------------
+
+To download the source code, you can clone the git repo of the project
+
+```
+$ git clone https://git.ipr.univ-rennes1.fr/epsi/MsSpec-DFM.git
+```
+
+If git is not avilable on your system, you can download a compressed archive
+on the [repo website](https://git.ipr.univ-rennes1.fr/epsi/MsSpec-DFM).
+Once downloaded, this archive should be uncompressed.
+
+
+Building and installing
+-----------------------
+
+```
+# Change to the src folder
+$ cd MsSpec-DFM/src
+
+# Type in 'make' or 'make all'
+$ make
+
+# This will install the commandline utility and python bindings
+$ make install
+```
+
+Every new Python packages and dependencies will be installed in the
+Python user site packages (under *$HOME/.local/* tree).
+
+You can also use a Python virtual environment
+
+
+Uninstalling
+------------
+
+```
+$ pip uninstall msspec_dfm
+```
+
+
+
+Running the code
+================
+
+The program can be run either from the command line or from a Python script.
+
+Command-line
+------------
+
+The executable is called 'eps'. Type in 'man eps' to get more help. It has 3 main sub-commands:
+
+- generate
+- compute
+- plot
+
+Begin by generating an input file with default values:
+
+```
+$ eps generate
+```
+
+It will create a default input file (Data/epsilon.dat).
+Then, edit this input file according to your needs. You can find some details
+about the allowed values of input parameters [here](./DESC) and launch a calculation.
+
+```
+$ eps compute Data/epsilon.dat
+```
+
+Finally you can plot the results
+
+```
+$ eps plot diel_func
+```
+
+Python bindings
+---------------
+
+Have a look to [this example](./examples/example00.py)

src/Makefile

@@ -280,7 +280,7 @@ pypkg: python/dist/$(PYTHON_PKG_NAME)-$(VERSION).tar.gz
 
 
 required_python_packages:
-	@$(PIP) install numpy matplotlib click-man
+	@$(PIP) install -r python/pip.freeze
 
 
 python/VERSION:

src/python/msspec_dfm/version.py

@@ -33,12 +33,13 @@ from pkg_resources import parse_version
 
 try:
     from setuptools_scm import get_version
-    v = get_version(root='../../', relative_to=__file__, version_scheme="post-release")
+    v = get_version(root='../../../', relative_to=__file__, version_scheme="post-release")
     v = parse_version(v)
-    if v._version.post[-1] == 0:
-        __version__ = v.base_version
-    else:
-        __version__ = v.public
+    __version__ = v.base_version
+    # if v._version.post[-1] == 0:
+        # __version__ = v.base_version
+    # else:
+        # __version__ = v.public
 except Exception as err:
     try:
         __version__ = get_distribution(__name__.strip('.version')).version

src/python/pip.freeze

@@ -1,3 +1,5 @@
+setuptools_scm
 matplotlib
+numpy
 click
 click-man