Work on Makefiles to make install easier...

Makefile

@@ -1,6 +1,6 @@
 include src/options.mk
 
-PYTHON = python3
+PYTHON = python
 
 # Checking Python version
 PYTHON_EXE := $(shell command -v $(PYTHON) 2> /dev/null)
@@ -17,21 +17,30 @@ ifneq ($(shell test $(PYTHON_VERSION_MAJOR) -ge 3 -a $(PYTHON_VERSION_MINOR) -ge
 endif
 
 
-.PHONY: pybinding venv doc
+.PHONY: pybinding venv doc clean
 
 
 pybinding:
 	@+$(MAKE) -C src pybinding
 
 
+install: venv
+	@+$(MAKE) -C src sdist
+	@+$(MAKE) -C src frontend
+	@. $(VENV_PATH)/bin/activate && pip install src/dist/msspec-$(VERSION).tar.gz
+
 venv:
-	virtualenv --python=$(PYTHON_EXE) --prompt="(msspec-$(VERSION)) " venv
+	virtualenv --python=$(PYTHON_EXE) --prompt="(msspec-$(VERSION)) " $(VENV_PATH)
-	. ./venv/bin/activate && pip install --upgrade pip && pip install -r src/pip.freeze
+	. $(VENV_PATH)/bin/activate && pip install --upgrade pip && pip install -r src/pip.freeze
 
 doc:
 	@echo "Building pdf and html documentation..."
 	@mkdir -p package/
-	@+$(MAKE) -C doc/ latexpdf $(SUPPRESS_OUPUT)
+	@+$(MAKE) -C doc/ latexpdf
 	@rm -rf package/*.pdf
-	@cp "doc/build/latex/MsSpec-python.pdf" "./package/MsSpec-${VERSION}.pdf"
+	@cp "doc/build/latex/MsSpec-python.pdf" "./package/MsSpec-$(VERSION).pdf"
-	@+$(MAKE) -C doc/ html $(SUPPRESS_OUPUT)
+	@+$(MAKE) -C doc/ html
+
+clean::
+	@+$(MAKE) -C src/ clean
+

doc/Makefile

@@ -83,8 +83,9 @@ html0: banner images
 	@echo
 	@echo "Build finished. The HTML pages are in $(BUILDDIR)/html."
 
-html: html0 ownership $(BUILDDIR)/html/sitemap.xml coverage_report
+#html: html0 ownership $(BUILDDIR)/html/sitemap.xml coverage_report
-	@echo
+
+html: html0 ownership $(BUILDDIR)/html/sitemap.xml
 
 coverage_report:
 	@echo "Generating coverage report..."

src/Makefile

@@ -1,20 +1,31 @@
 include options.mk
 
-.PHONY: sdist pybinding results clean 
+.PHONY: sdist frontend pybinding results clean 
 
-install: sdist
-	@echo "Installing msspec python package"
-	@pip install dist/msspec-*.tar.gz
 
-sdist: pybinding
+foo:
+	echo $(VERSION) 
+
+sdist: dist/msspec-$(VERSION).tar.gz
+	
+
+frontend: $(INSTALL_PREFIX)/bin/msspec
+
+
+dist/msspec-$(VERSION).tar.gz: pybinding
 	@echo "Creating Python source distribution..."
 	@python setup.py sdist
 
+$(INSTALL_PREFIX)/bin/msspec:
+	@cat msspec.sh.template | sed 's/__VERSION__/$(VERSION)/' > $@
+	@chmod u+x $@
+
 
 pybinding:
 	@echo "Building Python binding for phagen and spec..."
 	@+$(MAKE) -C msspec/phagen/fortran all
 	@+$(MAKE) -C msspec/spec/fortran all
+	@echo "$(VERSION)" > VERSION
 
 results: msspec/results.txt
 
@@ -38,6 +49,7 @@ clean::
 #	remove previous sdist
 	@rm -rf dist
 	@rm -rf *.egg*
+	@rm VERSION
 
 
 help:

src/msspec.sh.template

@@ -0,0 +1,100 @@
+#!/bin/bash 
+
+SCRIPT_NAME="$0"
+VERSION="__VERSION__"
+VENV_PATH="$HOME/.local/src/msspec_venv_$VERSION"
+
+# Check venv path
+if ! [ -d "$VENV_PATH" ]; then
+   echo "ERROR: Unable to find version $VERSION of msspec!!"
+   exit 1
+fi
+
+launch_script() {
+   . "$VENV_PATH/bin/activate" && python $@
+}
+
+show_help () {
+   echo "Usage: 1) $SCRIPT_NAME -p [PYTHON OPTIONS] SCRIPT [ARGUMENTS...]"
+   echo "       2) $SCRIPT_NAME [-l FILE | -i | -h]"
+   echo "       3) eval \$($SCRIPT_NAME -e)"
+   echo ""
+   echo "Form (1) is used to launch a script"
+   echo "Form (2) is used to load a hdf5 data file"
+   echo "Form (3) is used to activate the msspec virtual environment"
+   echo ""
+   echo "List of possible options:"
+   echo "    -p   Pass every arguments after this option to the msspec"
+   echo "         virtual environment Python interpreter."
+   echo "    -i   Run the interactive Python interpreter within msspec"
+   echo "         virtual environment."
+   echo "    -l   Load and display a *.hdf5 data file in a graphical"
+   echo "         window."
+   echo "    -h   Show this help message."
+}
+
+launch_interpreter() {
+     source $VENV_PATH/bin/activate
+     echo "Python interpreter of the MsSpec virtual environment."
+     echo ""
+     echo "This environment includes the following packages:"
+     pip list
+     echo ""
+     echo "Type in <CTRL>+D to exit."
+     echo ""
+     ipython --profile=msspec
+}
+
+load_data() {
+   . "$VENV_PATH/bin/activate" && python -m msspec.iodata $1
+}
+
+read_yes_no () {
+    PROMPT="$1"
+    DEFAULT="$2"
+    BYPASS="$3"
+
+    ANSWER=""
+    RESPONSE=""
+
+    VALID=1
+    while test $VALID -ne 0; do
+        test "$BYPASS" = "y" || read -p "${PROMPT} (y/n) [${DEFAULT}]? " "RESPONSE"
+        ANSWER="${RESPONSE:-${DEFAULT}}"
+        case "${ANSWER}" in
+            y|n) VALID=0 ;;
+            *) echo "Invalid choice, please answer \"y\" or \"n\"."; VALID=1 ;;
+        esac
+    done
+}
+
+uninstall() {
+   read_yes_no "This will completely remove msspec from your computer. Are you sure" "n" "$BYPASS"
+   case "${ANSWER}" in
+      y) rm -rv "$VENV_PATH" && rm "$SCRIPT_NAME" && echo "MsSpec successfully uninstalled." ;;
+      n) echo "Uninstallation aborted." ;;
+   esac
+}
+
+
+
+while getopts "hil:p:eu" option; do
+   case $option in
+      p) shift; launch_script "$@"
+         ;;
+      i) launch_interpreter
+         ;;
+      l) load_data "$OPTARG"; shift
+         ;;
+      e) echo ". $VENV_PATH/bin/activate"
+         ;;
+      u) uninstall
+         ;;
+      *|h) show_help
+         ;;
+   esac
+done
+
+if [ $OPTIND -eq 1 ]; then 
+   show_help
+fi

src/msspec/version.py

@@ -44,7 +44,10 @@ except Exception as err:
         __version__ = get_distribution(__name__.strip('.version')).version
     except Exception as err:
         try:
-            with open("../VERSION", "r") as fd:
+            thisfile_path = os.path.abspath(__file__)
+            thisfile_dir = os.path.dirname(thisfile_path)
+            versionfile = os.path.join(thisfile_dir, "../VERSION")
+            with open(versionfile, "r") as fd:
                 __version__ = fd.readline()
         except Exception as err:
             print("Unable to get the version number!")

src/options.mk

@@ -4,6 +4,7 @@ F2PY     = f2py3
 DEBUG    = 0
 VERBOSE  = 0
 BUILDDIR = ./build
+INSTALL_PREFIX = $(HOME)/.local
 
 
 ################################################################################
@@ -37,6 +38,7 @@ F2PYFLAGS_DBG = --debug-capi --debug
 ################################################################################
 #VERSION:=$(shell python -c "import msspec; print(msspec.__version__)")
 VERSION:=$(shell git describe|sed 's/-\([[:digit:]]\+\)-.*/\.post\1/')
+VENV_PATH := $(INSTALL_PREFIX)/src/msspec_venv_$(VERSION)
 
 ifeq ($(VERBOSE),0)
 	OUPUT_REDIRECTION := 1>/dev/null 2>/dev/null
@@ -81,17 +83,9 @@ obj: $(OBJS)
 
 
 clean::
-	@for objfile in $(OBJS); do \
-           if test -f $$objfile; then \
-             echo "Removing $$objfile..."; \
-             rm $$objfile; \
-           fi;\
-         done
 	@if test -d $(abspath $(BUILDDIR)); then \
-          if test `find $(abspath $(BUILDDIR)) -type f|wc -l` -eq 0; then \
+	    echo "Removing $(abspath $(BUILDDIR))..."; \
-            echo "Removing empty folder $(abspath $(BUILDDIR))..."; \
 	    rm -r $(abspath $(BUILDDIR)); \
-          fi; \
 	 fi
 	@if test x$(SO) != x; then \
            if test -f $(SO); then \

src/setup.py

@@ -73,6 +73,6 @@ if __name__ == "__main__":
           ],
           keywords='spectroscopy atom electron photon multiple scattering',
           license='GPL',
-          entry_points={
+          #entry_points={
-              'console_scripts': ['msspec=msspec.cli:main']}
+          #    'console_scripts': ['msspec=msspec.cli:main']}
           )