Pre-install Python dependencies in CI Docker images.

[alexxy/gromacs.git] / admin / ci-scripts / build-and-test-py-gmxapi-0.3.sh

diff --git a/admin/ci-scripts/build-and-test-py-gmxapi-0.3.sh b/admin/ci-scripts/build-and-test-py-gmxapi-0.3.sh
index 556b4ccecdc804d03cb92ad7e4c21c9b85e5f0b5..43cc75f0e0cf5afc353c61238651f9e9cc54f13d 100644 (file)
--- a/admin/ci-scripts/build-and-test-py-gmxapi-0.3.sh
+++ b/admin/ci-scripts/build-and-test-py-gmxapi-0.3.sh
@@ -1,7 +1,7 @@
 #!/usr/bin/env bash
 #
-# Build, install, and test the gmxapi 0.2 Python package developed with
-# GROMACS 2021.
+# Build, install, and test the gmxapi 0.3 Python package developed with
+# GROMACS 2022.
 #
 # This script assumes an activated Python venv with the
 # gmxapi dependencies already installed, with `python` resolvable by the shell
@@ -17,25 +17,18 @@
 # Make sure the script errors if any commands error.
 set -e
 
-# Create "sdist" source distribution archive.
 pushd python_packaging/src
-  # TODO: Remove extraneous environment variable with resolution of #3273
-  # Ref: https://redmine.gromacs.org/issues/3273
-  GMXTOOLCHAINDIR=$INSTALL_DIR/share/cmake/gromacs \
-      python setup.py sdist
-  # TODO: Identify SDIST
-
-  # Build and install from sdist.
-  # Note that tool chain may be provided differently in GROMACS 2020 and 2021.
+  # Make sure to delete any accidentally lingering build artifacts.
+  rm -rf build dist
+  # Build and install the gmxapi Python package.
+  # TODO(#3273): Reduce requirements for `setup.py` `sdist` command and provide build artifact.
   GMXTOOLCHAINDIR=$INSTALL_DIR/share/cmake/gromacs \
       python -m pip install \
+          --no-build-isolation \
           --no-cache-dir \
           --no-deps \
           --no-index \
-          --no-build-isolation \
-          dist/gmxapi*
-  # TODO: Build and install from $SDIST instead of wildcard.
-
+          .
 popd
 
 # Run Python unit tests.