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#!/usr/bin/make -f
# See debhelper(7) (uncomment to enable)
# output every command that modifies files on the build system.
#export DH_VERBOSE = 1
export PYBUILD_NAME=pymatgen
include /usr/share/dpkg/architecture.mk
empty :=
space := $(empty)$(empty)
# bootstrapping problem with circular dependency between pymatgen and mp-api
# mp_api is only used by ext/matproj.py, so skip its test at build-time
# (in practice the matproj tests are skipped anyway since an MP API key is not available)
SKIP_TEST_LIST += test_matproj
# SeeK-path has not been packaged for debian
# so skip SeeK tests in io/pwmat/test_inputs.py
SKIP_TEST_LIST += TestGenKpt TestHighSymmetryPoint
# io/qchem is partly broken, skip failing tests
# io/qchem input
SKIP_TEST_LIST += test_from_multi_jobs_file test_from_string test_read_molecule test_read_nbo test_read_negative test_read_plots test_read_write_nbo7
# io/qchem output
SKIP_TEST_LIST += test_all test_custom_smd_write
# io/qchem sets (test_sets.py all fail)
SKIP_TEST_LIST += test_sets
# these io tests fail in chroot
SKIP_TEST_LIST += test_CifWriter test_read_write test_init test_get_site_symmetries
# times out
SKIP_TEST_LIST += BSDOSPlotterTest
# requires write permissions
SKIP_TEST_LIST += test_cdft_dc_parsing
# requires internet
SKIP_TEST_LIST += test_get_structure_by_id
# fragmenter openbabel test fails, see https://github.com/materialsproject/pymatgen/issues/3078
SKIP_TEST_LIST += test_babel_PC_with_RO_depth_0_vs_depth_10
# MoleculeMatcherTest.test_fit in test_molecule_matcher.py fails for some reason
SKIP_TEST_LIST += test_fit
ifneq (,$(findstring $(DEB_HOST_ARCH), arm64))
SKIP_TEST_LIST += test_get_parchg "(TestAnharmonicQuasiharmociDebyeApprox and test_gruneisen_parameter)"
endif
ifneq (,$(findstring $(DEB_HOST_ARCH), i386))
SKIP_TEST_LIST += test_get_parchg test_numerical_eoswrapper "(TestAnharmonicQuasiharmociDebyeApprox and test_gruneisen_parameter)"
endif
ifneq (,$(findstring $(DEB_HOST_ARCH), mips64el))
SKIP_TEST_LIST += test_pca test_standard test_from_diff_fit test_relax_ase_opt_kwargs test_relax_ase_return_traj
EXTRA_TEST_FLAGS += -v
endif
ifneq (,$(findstring $(DEB_HOST_ARCH), ppc64el))
SKIP_TEST_LIST += test_get_parchg test_numerical_eoswrapper "(TestAnharmonicQuasiharmociDebyeApprox and test_gruneisen_parameter)"
endif
ifneq (,$(findstring $(DEB_HOST_ARCH), riscv64))
SKIP_TEST_LIST += test_get_parchg "(TestAnharmonicQuasiharmociDebyeApprox and test_gruneisen_parameter)"
SKIP_TEST_LIST += test_relax_ase_opt_kwargs test_relax_ase_return_traj test_rotate_sites
EXTRA_TEST_FLAGS += -v
endif
# many VASP tests (and others) fail on s390x, hppa, powerpc ppc64
BAD_VASP_ARCH_LIST := s390x hppa powerpc ppc64
ifneq (,$(findstring $(space)$(DEB_HOST_ARCH)$(space), $(space)$(BAD_VASP_ARCH_LIST)$(space)))
SKIP_TEST_LIST += test_spillage_from_vasprun test_process_parsed_hess test_from_file
SKIP_TEST_LIST += test_optics test_generate_g_points test_generate_nbmax test_evaluate_wavefunc test_fft_mesh_advanced test_fft_mesh_basic
SKIP_TEST_LIST += test_get_parchg test_n2_45210 test_n2_spin test_standard test_write_unks test_consistency
SKIP_TEST_LIST += test_read_fe
SKIP_TEST_LIST += "(TestAnharmonicQuasiharmociDebyeApprox and test_gruneisen_parameter)"
endif
ifneq (,$(findstring $(DEB_HOST_ARCH), hppa))
SKIP_TEST_LIST += test_cohp
endif
ifneq (,$(findstring $(DEB_HOST_ARCH), hurd-i386))
SKIP_TEST_LIST += plot test_structure_environments test_pca test_get_info_cohps_to_neighbors test_get_parchg test_as_dict_from_dict test_ir_spectra
endif
ifneq (,$(findstring $(DEB_HOST_ARCH), powerpc))
SKIP_TEST_LIST += test_pmg_structure
endif
ifneq (,$(findstring $(DEB_HOST_ARCH), loong64))
SKIP_TEST_LIST += test_get_parchg
endif
ifneq (,$(findstring $(DEB_HOST_ARCH), sparc64))
SKIP_TEST_LIST += test_spillage_from_vasprun test_read_fe test_process_parsed_hess \
test_chdir_behavior test_no_return_and_box test_from_file test_optics test_evaluate_wavefunc \
test_fft_mesh_advanced test_fft_mesh_basic test_generate_g_points test_generate_nbmax \
test_get_parchg test_n2_45210 test_n2_spin test_standard test_write_unks test_consistency
endif
%:
dh $@ --buildsystem=pybuild
execute_after_dh_auto_clean:
rm -f pymatgen/optimization/linear_assignment.c pymatgen/optimization/neighbors.c pymatgen/util/coord_cython.c
rm -rf pd.json .hypothesis tmp_dir
ifeq (,$(filter nodoc,$(DEB_BUILD_OPTIONS)))
execute_after_dh_auto_build-indep: export http_proxy=127.0.0.1:9
execute_after_dh_auto_build-indep: export https_proxy=127.0.0.1:9
execute_after_dh_auto_build-indep:
PYTHONPATH=$(shell pybuild --pyver `py3versions --default -v` --print build_dir | awk '{print $$3}' ) \
sphinx-build docs/apidoc build/html
endif
override_dh_auto_test:
SKIP_TESTS=""; \
list_initialised=0; \
for t in $(SKIP_TEST_LIST); do \
if [ $${list_initialised} = 0 ]; then \
SKIP_TESTS=$$t; \
list_initialised=1; \
else \
SKIP_TESTS="$${SKIP_TESTS} or $$t"; \
fi; \
done; \
if [ "x$${SKIP_TESTS}" != "x" ]; then \
SKIP_TESTS="not ( $${SKIP_TESTS} )"; \
fi; \
echo "skipping tests: $${SKIP_TESTS}"; \
for py in `py3versions -sv`; do \
pybuilddir=`pybuild --pyver $$py --print build_dir | awk '{print $$3}'`; \
testdir=$(CURDIR)/.pybuild/test_python$$py; \
cp -a $$pybuilddir $$testdir; \
cp -a tests $$testdir; \
PMG_TEST_FILES_DIR=/usr/share/doc/pymatgen-test-files/examples/files \
PYTHONPATH=$$testdir PATH=$$pybuilddir/../scripts:$$PATH \
python$$py -m pytest -v $(EXTRA_TEST_FLAGS) --import-mode=prepend --color=no -k "$${SKIP_TESTS}" $$testdir; \
done
execute_after_dh_python3:
dh_numpy3
|
