Fix typos regarding FindPython3 CMake module hint.

[alexxy/gromacs.git] / docs / gmxapi / userguide / install.rst

diff --git a/docs/gmxapi/userguide/install.rst b/docs/gmxapi/userguide/install.rst
index 65d80d88186fed2d510dc680aabc4cf649662d8e..8588156a48b3d85140459260e93457ec49e99d3f 100644 (file)
--- a/docs/gmxapi/userguide/install.rst
+++ b/docs/gmxapi/userguide/install.rst
@@ -196,16 +196,21 @@ Documentation build requirements
 
 See :ref:`gmxapi_package_documentation`
 
-.. _testing_requirements:
+.. _testing requirements:
 
 Testing requirements
 --------------------
 
+Note that the test suite is only available in the GROMACS source tree.
+(It is not part of the installed package.)
+Acquire the GROMACS sources with :command:`git` or by downloading an archive, as documented elsewhere.
+
 Testing is performed with `pytest <https://docs.pytest.org/en/latest/>`_.
-Tests also require numpy_.
-You can probably install both with pip_::
 
-    pip install pytest numpy
+:file:`python_packaging/requirements-test.txt` lists additional requirements for testing.
+With pip_::
+
+    pip install -r python_packaging/requirements-test.txt
 
 To test the full functionality also requires an MPI parallel environment.
 You will need the mpi4py_ Python package and an MPI launcher
@@ -493,14 +498,14 @@ extract Python docstrings.
 
 Sometimes the build environment can choose a different Python interpreter than
 the one you intended.
-You can set the ``Python3_ROOT`` or ``CMAKE_PREFIX_PATH`` CMake variable to
+You can set the ``Python3_ROOT_DIR`` or ``CMAKE_PREFIX_PATH`` CMake variable to
 explicitly choose the Python installation or *venv* directory.
 
 If you use pyenv or pyenv-virtualenv to dynamically manage your Python version,
 you can help identify a particular version with ``pyenv version-name`` and the
 directory with ``pyenv prefix {version}``. For example::
 
-    -DPython3_ROOT=$(pyenv prefix $(pyenv version-name))
+    -DPython3_ROOT_DIR=$(pyenv prefix $(pyenv version-name))
 
 Docker web server
 -----------------
@@ -514,6 +519,20 @@ https://hub.docker.com/r/gmxapi/docs for more information.
     Document sample_restraint package. Reference issue
     `3027 <https://gitlab.com/gromacs/gromacs/-/issues/3027>`_
 
+Testing
+=======
+
+Note `testing requirements`_ above.
+
+After installing the :py:mod:`gmxapi` Python package,
+you can run the Python test suite from the GROMACS source tree.
+Example::
+
+    # Assuming you are in the root directory of the repository:
+    pytest python_packaging/src/test/
+
+Refer to :file:`python_packaging/README.md` for more detailed information.
+
 .. _gmxapi install troubleshooting:
 
 Troubleshooting