legacy docs: readthedocs update

ajz34 · Feb 23, 2024 · bfc8016 · bfc8016
1 parent 93d3779
commit bfc8016
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Showing 12 changed files with 11 additions and 993 deletions.
diff --git a/.gitignore b/.gitignore
@@ -10,6 +10,9 @@ release
 *.chk
 *.bak
 *.sav
+.idea/
+*.iml
+*.xml
 
 # Byte-compiled / optimized / DLL files
 __pycache__/

diff --git a/.idea/Py_xDH.iml b/.idea/Py_xDH.iml
diff --git a/.idea/inspectionProfiles/profiles_settings.xml b/.idea/inspectionProfiles/profiles_settings.xml
diff --git a/.idea/misc.xml b/.idea/misc.xml
diff --git a/.idea/modules.xml b/.idea/modules.xml
diff --git a/.idea/vcs.xml b/.idea/vcs.xml
diff --git a/.idea/workspace.xml b/.idea/workspace.xml
diff --git a/.readthedocs.yml b/.readthedocs.yml
@@ -7,12 +7,13 @@ submodules:
   include: all
 
 build:
-  image: latest
+  image: ubuntu-22.04
+  apt_packages:
+    - pandoc
 
 python:
   version: 3.7
   install:
     - requirements: docs/requirements.yml
-  system_packages: true
 
 formats: [htmlzip]
diff --git a/README.md b/README.md
@@ -2,7 +2,7 @@
 
 **This project is under going code refactorization. Document code is currently not updated. Unrestricted and RI implementation is on-going.**
 
-**程序正在进行重构。其所对应的文档目前还没有更新。开窍层与 RI 实现目前还有待完善。**
+**程序正在进行重构。其所对应的文档目前还没有更新。开壳层与 RI 实现目前还有待完善。**
 
 |         | Badges   |
 | :------ | :------- |

diff --git a/docs/requirements.yml b/docs/requirements.yml
@@ -1,9 +1,9 @@
-numpy!=1.16
+numpy
 scipy
 jupyter
 matplotlib
 sphinx
 nbsphinx
-nbconvert!=5.4
+nbconvert
 sphinx_rtd_theme
 sphinxcontrib-bibtex
diff --git a/docs/source/conf.py b/docs/source/conf.py
@@ -180,5 +180,5 @@
     "qcbasic/basic_rhf.bib",
     "qcbasic/basic_b2plyp.bib",
     "qcbasic/basic_xyg3.bib",
-    "ref.bib",
+    # "ref.bib",
 ]
diff --git a/requirements.txt b/requirements.txt
@@ -1,7 +1,5 @@
-pyscf>=1.7.1
-numpy!=1.16
+pyscf==2.5.0
 opt_einsum
-scipy
 jupyter
 sphinx
 nbsphinx
-Original file line number
+Diff line change
@@ Expand Up / @@ -10,6 +10,9 @@ release @@
     *.chk
     *.bak
     *.sav
+    .idea/
+    *.iml
+    *.xml
     # Byte-compiled / optimized / DLL files
     __pycache__/
@@ Expand Down @@