diff --git a/gnu/packages/physics.scm b/gnu/packages/physics.scm index 6249176bb63..5c342781eac 100644 --- a/gnu/packages/physics.scm +++ b/gnu/packages/physics.scm @@ -398,32 +398,55 @@ not a GUI application.") (define-public python-pycifrw (package (name "python-pycifrw") - (version "4.4.6") + (version "5.0.1") (source (origin (method git-fetch) (uri (git-reference - (url "https://github.com/jamesrhester/pycifrw.git") - (commit version))) + (url "https://github.com/jamesrhester/pycifrw") + (commit (string-append "v" version)))) (sha256 - (base32 "0xda4vgm6dz6fhhrfv8y6igsc5kznlnv0j3yrwkbcd3qqv16ic6r")))) + (base32 "14qm472gzfblwph00vhv1fpyx0azfk4fba6fwzjh1z47pmapx7kg")))) (build-system pyproject-build-system) (arguments (list + ;; tests: 220 passed, 1 skipped, 5 deselected, 3 xfailed, 13752 warnings + #:test-flags + #~(list + ;; AssertionError: False is not true + "--deselect=TestPyCIFRW.py::DDLmDicTestCase::testMandatory" + "--deselect=TestPyCIFRW.py::DDLmDicTestCase::testProhibited" + ;; AssertionError: assert '_atom_site.adp_type' == + ;; '_atom_site.ADP_type' + "--deselect=TestPyCIFRW.py::DicStructureTestCase::testCatObj2" + ;; KeyError: 'No such category,object in the dictionary: atom_site + ;; matrix_beta' + "--deselect=TestDrel.py::TestWithDict::test_fancy_packets" + "--deselect=TestDrel.py::TestWithDict::testCaptures" + "TestPyCIFRW.py" + "TestDrel.py") #:phases #~(modify-phases %standard-phases + ;; Steps are taken from project's .github/workflows/CI.yml file. + (add-after 'unpack 'copy-dictionaries + (lambda _ + (copy-recursively + (string-append #$(this-package-native-input "cif-core") + "/share/cif-core") + "tests/dictionaries"))) (add-before 'build 'generate-sources (lambda _ - (invoke "make" "-C" "src" "PYTHON=python3" "package") - (invoke "make" "-C" "src/drel" "PYTHON=python3" "package"))) - (replace 'check - (lambda* (#:key tests? #:allow-other-keys) - (when tests? - (invoke "python3" "TestPyCIFRW.py"))))))) - (propagated-inputs - (list python-numpy python-ply)) + (invoke "make" "-C" "src" "package")))))) (native-inputs - (list latex2html noweb python-setuptools)) + (list cif-core + latex2html + noweb + python-pytest + python-setuptools)) + (propagated-inputs + (list python-numpy + python-prettytable + python-ply)) (home-page "https://github.com/jamesrhester/pycifrw") (synopsis "CIF file reader and writer") (description