diff options
| -rw-r--r-- | gnu/packages/bioinformatics.scm | 18 |
1 files changed, 11 insertions, 7 deletions
diff --git a/gnu/packages/bioinformatics.scm b/gnu/packages/bioinformatics.scm index 02c2aea1cc..0ff1bce896 100644 --- a/gnu/packages/bioinformatics.scm +++ b/gnu/packages/bioinformatics.scm @@ -3357,25 +3357,29 @@ defined rule on an input file.") (define-public python-pdbfixer (package (name "python-pdbfixer") - (version "1.9") + (version "1.12") (source (origin (method git-fetch) (uri (git-reference (url "https://github.com/openmm/pdbfixer") - (commit version))) + (commit (string-append "v" version)))) (file-name (git-file-name name version)) (sha256 - (base32 "1zjhb19q5dclkwvzh8n29p31n1vzkhlmmzwqllimi89jsis1cx35")))) + (base32 "0jj724fkvk7bk47izk92ss8nz9ymfvj0f1fkypc0ig4xd5qzjqsz")))) (build-system pyproject-build-system) (arguments (list #:test-flags + ;; These tests fail because they require internet access or test data. '(list "-k" - ;; These tests fail because they require internet access. - (string-append "not test_build_and_simulate.py" - " and not test_cli.py" - " and not test_mutate.py")))) + (string-join (list "not test_build_and_simulate" + "test_charge_and_solvate" + "test_cli" + "test_leaving_atoms" + "test_mutate" + "test_nonstandard") + " and not ")))) (propagated-inputs (list openmm python-numpy)) (native-inputs (list python-pytest python-setuptools python-wheel)) (home-page "https://github.com/openmm/pdbfixer") |