update docs and bump version

sakibmatin · Jul 22, 2022 · 75d1e9a · 75d1e9a
1 parent 7db68f1
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diff --git a/README.rst b/README.rst
@@ -74,7 +74,7 @@ Notes
 - Install dependencies with conda from conda_requirements.txt .
 - If you don't want pip to install them, conda install from file before installing ``hippynn``.
   You may want to use -c pytorch for the pytorch channel.
-  For ase, you may want to use -c conda-forge.
+  For ase and cupy, you probably want to use -c conda-forge.
 - Optional dependencies are in optional_dependencies.txt
 
 

diff --git a/conda_requirements.txt b/conda_requirements.txt
@@ -2,6 +2,7 @@ numpy
 pytorch >= 1.6
 matplotlib
 numba
+cupy
 ase
 h5py
 tqdm

diff --git a/docs/source/conf.py b/docs/source/conf.py
@@ -22,7 +22,7 @@
 author = "Nicholas Lubbers"
 
 # The full version, including alpha/beta/rc tags
-release = "0.0.1b1"
+release = "0.0.1b2"
 
 
 # -- General configuration ---------------------------------------------------

diff --git a/docs/source/user_guide/settings.rst b/docs/source/user_guide/settings.rst
@@ -49,11 +49,11 @@ The following settings are available:
      - .pdf
      - Yes
    * - USE_CUSTOM_KERNELS
-     - | Use custom kernels with numba.
+     - | Use custom kernels with numba or cupy.
        | Auto tries to detect the
-       | installation of numba.
+       | installation of numba or cupy.
        | for more info see :doc:`/user_guide/ckernels`.
-     - auto, true, false
+     - auto, true, false, pytorch, numba, cupy
      - auto
      - Not directly, use :func:`~hippynn.custom_kernels.set_custom_kernels`
    * - WARN_LOW_DISTANCES
@@ -77,4 +77,4 @@ The following settings are available:
        | is going very wrong.
      - true, false
      - false
-     - no
+     - no
diff --git a/optional_dependencies.txt b/optional_dependencies.txt
@@ -1,6 +1,7 @@
 ase
 numba
+cupy
 matplotlib
 tqdm
 graphviz
-h5py
+h5py
diff --git a/setup.py b/setup.py
@@ -20,7 +20,7 @@
 
 setuptools.setup(
     name="hippynn",
-    version="0.0.1b1",
+    version="0.0.1b2",
     author="Nicholas Lubbers et al",
     author_email="hippynn [AT] lanl (DOT) gov",
     python_requires=">3.7",
-Original file line number
+Diff line change
@@ Expand Up / @@ -2,6 +2,7 @@ numpy @@
     pytorch >= 1.6
     matplotlib
     numba
+    cupy
     ase
     h5py
     tqdm
@@ Expand Down @@