Merge pull request #3 from bjorgve/move-to-content

Move to content
MRChemSoft · Feb 13, 2024 · 526f518 · 526f518
2 parents 97c92f5 + 3f77598
commit 526f518
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diff --git a/Makefile b/Makefile
@@ -0,0 +1,20 @@
+# Minimal makefile for Sphinx documentation
+#
+
+# You can set these variables from the command line, and also
+# from the environment for the first two.
+SPHINXOPTS    ?=
+SPHINXBUILD   ?= sphinx-build
+SOURCEDIR     = content
+BUILDDIR      = _build
+
+# Put it first so that "make" without argument is like "make help".
+help:
+	@$(SPHINXBUILD) -M help "$(SOURCEDIR)" "$(BUILDDIR)" $(SPHINXOPTS) $(O)
+
+.PHONY: help Makefile
+
+# Catch-all target: route all unknown targets to Sphinx using the new
+# "make mode" option.  $(O) is meant as a shortcut for $(SPHINXOPTS).
+%: Makefile
+	@$(SPHINXBUILD) -M $@ "$(SOURCEDIR)" "$(BUILDDIR)" $(SPHINXOPTS) $(O)
diff --git a/PCMSolvent.ipynb → content/PCMSolvent.ipynb b/PCMSolvent.ipynb → content/PCMSolvent.ipynb
diff --git a/beryllium_atom.ipynb → content/beryllium_atom.ipynb b/beryllium_atom.ipynb → content/beryllium_atom.ipynb
diff --git a/harmonic_oscillator_evolution.ipynb → content/harmonic_oscillator_evolution.ipynb b/harmonic_oscillator_evolution.ipynb → content/harmonic_oscillator_evolution.ipynb
diff --git a/environment.yml b/environment.yml
@@ -0,0 +1,23 @@
+name: mw-coven
+channels:
+  - conda-forge
+dependencies:
+  - mrcpp
+  - mrchem
+  - vampyr
+  - pytest
+  - scipy
+  - numpy
+  - matplotlib
+  - jupyterlab
+  - jupytext
+  - altair
+  - plotly
+  - pandas
+  - python=3.8
+  - openbabel
+  - pip
+  - markdown-it-py
+  - linkify-it-py
+  - mdit-py-plugins
+  - py3dmol
diff --git a/make.bat b/make.bat
@@ -0,0 +1,35 @@
+@ECHO OFF
+
+pushd %~dp0
+
+REM Command file for Sphinx documentation
+
+if "%SPHINXBUILD%" == "" (
+	set SPHINXBUILD=sphinx-build
+)
+set SOURCEDIR=.
+set BUILDDIR=_build
+
+if "%1" == "" goto help
+
+%SPHINXBUILD% >NUL 2>NUL
+if errorlevel 9009 (
+	echo.
+	echo.The 'sphinx-build' command was not found. Make sure you have Sphinx
+	echo.installed, then set the SPHINXBUILD environment variable to point
+	echo.to the full path of the 'sphinx-build' executable. Alternatively you
+	echo.may add the Sphinx directory to PATH.
+	echo.
+	echo.If you don't have Sphinx installed, grab it from
+	echo.http://sphinx-doc.org/
+	exit /b 1
+)
+
+%SPHINXBUILD% -M %1 %SOURCEDIR% %BUILDDIR% %SPHINXOPTS% %O%
+goto end
+
+:help
+%SPHINXBUILD% -M help %SOURCEDIR% %BUILDDIR% %SPHINXOPTS% %O%
+
+:end
+popd
diff --git a/requirements.txt b/requirements.txt
@@ -0,0 +1,11 @@
+myst-nb
+sphinx
+sphinx-book-theme
+sphinx-lesson
+sphinx-thebe
+sphinxcontrib-bibtex
+matplotlib
+ipympl
+ipywidgets
+py3Dmol
+jupytext