diff --git a/science/py-moltemplate/Makefile b/science/py-moltemplate/Makefile index a4b3c48f8ce0..56c57b98b8ea 100644 --- a/science/py-moltemplate/Makefile +++ b/science/py-moltemplate/Makefile @@ -1,43 +1,43 @@ PORTNAME= moltemplate DISTVERSIONPREFIX= v -DISTVERSION= 2.21.2 +DISTVERSION= 2.22.0 CATEGORIES= science python PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} MAINTAINER= yuri@FreeBSD.org COMMENT= Tool to prepare simulations of molecules, complex molecular assemblies WWW= https://www.moltemplate.org/ \ https://github.com/jewettaij/moltemplate LICENSE= MIT LICENSE_FILE= ${WRKSRC}/LICENSE.md BUILD_DEPENDS= ${PYTHON_PKGNAMEPREFIX}pytest-runner>0:devel/py-pytest-runner@${PY_FLAVOR} RUN_DEPENDS= ${PYNUMPY} \ bash:shells/bash TEST_DEPENDS= shunit2>0:devel/shunit2 USES= python shebangfix USE_PYTHON= distutils concurrent autoplist USE_GITHUB= yes GH_ACCOUNT= jewettaij SHEBANG_FILES= moltemplate/scripts/molc.sh #shunit2/shunit2 NO_ARCH= yes BINARY_ALIAS= python3=${PYTHON_CMD} TEST_ENV= ${MAKE_ENV} PYTHONPATH=${STAGEDIR}${PYTHONPREFIX_SITELIBDIR} PATH=${STAGEDIR}${LOCALBASE}/bin:${PATH} do-test: # testsuite instructions: https://github.com/jewettaij/moltemplate/issues/65#issuecomment-1022740972 @cd ${WRKSRC} && \ ([ -e shunit2 ] || (${MKDIR} tests/shunit2 && ${RM} tests/shunit2/shunit2 && ${LN} -s ${LOCALBASE}/bin/shunit2 tests/shunit2/shunit2)) && \ ${SETENV} ${TEST_ENV} bash tests/test_read_coords_pdb.sh && \ ${SETENV} ${TEST_ENV} bash tests/test_ltemplify.sh && \ ${SETENV} ${TEST_ENV} bash tests/test_oplsaa.sh && \ ${SETENV} ${TEST_ENV} bash tests/test_compass.sh && \ ${SETENV} ${TEST_ENV} python3 tests/test_genpoly_lt.py .include diff --git a/science/py-moltemplate/distinfo b/science/py-moltemplate/distinfo index 2a1a48f855c5..d78bf36bcf8f 100644 --- a/science/py-moltemplate/distinfo +++ b/science/py-moltemplate/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1733423914 -SHA256 (jewettaij-moltemplate-v2.21.2_GH0.tar.gz) = 712f2cd3c383028ec43c5f928bc1a66704f3f4ec44727ca2c08f9359ce90c91c -SIZE (jewettaij-moltemplate-v2.21.2_GH0.tar.gz) = 9612044 +TIMESTAMP = 1733724285 +SHA256 (jewettaij-moltemplate-v2.22.0_GH0.tar.gz) = d262abb8d105118417ebb607ac8a1d2bafcb867985f606dc4c0a499789a35a09 +SIZE (jewettaij-moltemplate-v2.22.0_GH0.tar.gz) = 9626611