biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ blobdiff
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
raw
|
inline
| side by side
Require pybind 2.6 from environment for gmxapi Python package extension module.
[alexxy/gromacs.git]
/
admin
/
ci-scripts
/
build-and-test-sample_restraint-2022.sh
diff --git
a/admin/ci-scripts/build-and-test-sample_restraint-2022.sh
b/admin/ci-scripts/build-and-test-sample_restraint-2022.sh
index df4dcba29e4862136e54fded84b8a96efaafc60c..dbd350f08bddd2fcfdb39ba1fd29eaf28ac86535 100644
(file)
--- a/
admin/ci-scripts/build-and-test-sample_restraint-2022.sh
+++ b/
admin/ci-scripts/build-and-test-sample_restraint-2022.sh
@@
-19,9
+19,6
@@
pushd python_packaging/src
GMXTOOLCHAINDIR=$INSTALL_DIR/share/cmake/gromacs \
python -m pip install \
--no-cache-dir \
GMXTOOLCHAINDIR=$INSTALL_DIR/share/cmake/gromacs \
python -m pip install \
--no-cache-dir \
- --no-deps \
- --no-index \
- --no-build-isolation \
.
# TODO: Get sdist artifact for other gmxapi versions.
# elif [ "2021" -eq "$GROMACS_MAJOR_VERSION" ]; then
.
# TODO: Get sdist artifact for other gmxapi versions.
# elif [ "2021" -eq "$GROMACS_MAJOR_VERSION" ]; then
@@
-30,7
+27,6
@@
pushd python_packaging/src
# --no-cache-dir \
# --no-deps \
# --no-index \
# --no-cache-dir \
# --no-deps \
# --no-index \
-# --no-build-isolation \
# dist/gmxapi*
else
echo "Logic error in GROMACS version handling."
# dist/gmxapi*
else
echo "Logic error in GROMACS version handling."
@@
-44,8
+40,9
@@
pushd python_packaging/sample_restraint
pushd build
# TODO: Update with respect to https://gitlab.com/gromacs/gromacs/-/issues/3133
cmake .. \
pushd build
# TODO: Update with respect to https://gitlab.com/gromacs/gromacs/-/issues/3133
cmake .. \
- -DDOWNLOAD_GOOGLETEST=ON \
- -DGMXAPI_EXTENSION_DOWNLOAD_PYBIND=ON
+ -DPYTHON_EXECUTABLE=`which python` \
+ -DDOWNLOAD_GOOGLETEST=ON \
+ -DGMXAPI_EXTENSION_DOWNLOAD_PYBIND=ON
make -j4 tests
make test
#TODO: Can we get ctest JUnitXML output here?
make -j4 tests
make test
#TODO: Can we get ctest JUnitXML output here?