New implementation with documentation

bastonero · May 24, 2023 · 29a937e · 29a937e
1 parent 2cb95d5
commit 29a937e
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Showing 113 changed files with 9,966 additions and 2,497 deletions.
diff --git a/.gitignore b/.gitignore
@@ -109,4 +109,7 @@ ENV/
 .DS_Store
 .idea
 submit_test/
-docker-compose.yml
+_aiida_*
+# Autogenerated API docs
+docs/source/reference/api/aiida_vibroscopy
+docs/source/reference/cli
diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml
@@ -30,6 +30,11 @@ repos:
         name: yapf
         types: [python]
         args: ['-i']
+        exclude: &exclude_files >
+            (?x)^(
+                docs/.*|
+                tests/.*(?<!\.py)$
+            )$
         additional_dependencies: ['toml']
 
 -   repo: local
@@ -45,9 +50,5 @@ repos:
     rev: '6.1.1'
     hooks:
     -   id: pydocstyle
-        exclude: >
-            (?x)^(
-                docs/.*|
-                tests/.*(?<!\.py)$
-            )$
+        exclude: *exclude_files
         additional_dependencies: ['toml']
diff --git a/.readthedocs.yml b/.readthedocs.yml
@@ -1,14 +1,20 @@
 version: 2
 
+build:
+  os: ubuntu-22.04
+  tools:
+    python: mambaforge-4.10
+
+conda:
+  environment: environment.yml
+
 python:
-    version: 3.8
     install:
         - method: pip
           path: .
           extra_requirements:
             - docs
 
-# Let the build fail if there are any warnings
 sphinx:
-    builder: html
-    fail_on_warning: true
+    configuration: docs/source/conf.py
+    fail_on_warning: false
diff --git a/docs/Makefile b/docs/Makefile
@@ -6,6 +6,7 @@ SPHINXOPTS    =
 SPHINXBUILD   = sphinx-build
 PAPER         =
 BUILDDIR      = build
+AIIDAWORKDIR  = source/local_module/_aiida_*
 
 # User-friendly check for sphinx-build
 ifeq ($(shell which $(SPHINXBUILD) >/dev/null 2>&1; echo $$?), 1)
@@ -24,10 +25,10 @@ I18NSPHINXOPTS  = $(PAPEROPT_$(PAPER)) $(SPHINXOPTS) source
 customdefault:
 	$(SPHINXBUILD) -b html -nW --keep-going $(ALLSPHINXOPTS) $(BUILDDIR)/html
 
-all: html
+all: html view
 
 clean:
-	rm -rf $(BUILDDIR)
+	rm -rf $(BUILDDIR); rm -rf $(AIIDAWORKDIR)
 
 html:
 	$(SPHINXBUILD) -b html $(ALLSPHINXOPTS) $(BUILDDIR)/html
@@ -36,4 +37,4 @@ html:
 
 
 view:
-	xdg-open $(BUILDDIR)/html/index.html
+	open $(BUILDDIR)/html/index.html
diff --git a/docs/requirements_for_rtd.txt b/docs/requirements_for_rtd.txt
diff --git a/docs/source/1_phonon.ipynb b/docs/source/1_phonon.ipynb
diff --git a/docs/source/2_dielectric.ipynb b/docs/source/2_dielectric.ipynb
diff --git a/docs/source/3_iraman.ipynb b/docs/source/3_iraman.ipynb
diff --git a/docs/source/4_polar.ipynb b/docs/source/4_polar.ipynb
diff --git a/docs/source/5_iraman_functionals.ipynb b/docs/source/5_iraman_functionals.ipynb