update documentation

Author: dellelce

Dockerfile

@@ -1,3 +1,7 @@
+#
+# GPAW Density Functional Theory Dockerfile
+#
+# default base image "dellelce/mkit" has: Python (Latest) + Apache httpd (Latest)
 
 ARG BASE=dellelce/mkit
 FROM ${BASE}:latest as build
@@ -44,10 +48,9 @@ VOLUME ${GPAW}/executions
 
 RUN  apk add --no-cache libgfortran libstdc++
 
-# ain't this dirty?
+# Pre-load the gfortran shared library
 ENV LD_PRELOAD /usr/lib/libgfortran.so.3
 
-# virtualenv, hmmm virtualenv for root? Mumble mumble...
 ENV ENV   /root/.profile
 RUN echo ". ${GPAWENV}/bin/activate" >> /root/.profile
 

README.md

@@ -1,15 +1,16 @@
 # gpaw-docker
 
-This repo builds a docker container with [GPAW](https://wiki.fysik.dtu.dk/gpaw/) (A Density Functional Theory software based on the [Projector Augmented Wave](https://en.wikipedia.org/wiki/Projector_augmented_wave_method) method and a real space grid).
+This repo provides docker containers with [GPAW](https://wiki.fysik.dtu.dk/gpaw/) (A Density Functional Theory software based on the [Projector Augmented Wave](https://en.wikipedia.org/wiki/Projector_augmented_wave_method) method and a real space grid).
 
 ## Components
 
 It uses the following:
 
 * Alpine Linux
-* Latest Apache httpd available (install path: /app/httpd)
+* Latest  [Apache httpd](http://httpd.apache.org) available (install path: /app/httpd)
+* or [uWSGI](https://uwsgi-docs.readthedocs.io/en/latest/) (image dellelce/gpaw-uwsgi)
 * Latest Python 3.7 available (install path: /app/httpd)
-* Latest GPAW (install path: /app/gpaw)
+* Latest [GPAW](https://wiki.fysik.dtu.dk/gpaw/) (install path: /app/gpaw)
 
 ## Volumes
 
@@ -25,4 +26,5 @@ It uses the following:
 
 ## Usage
 
-TODO
+
+So you can either use the images to run gpaw directy or use the images to develop python code to call GPAW (which is a python package).