diff --git a/science/py-MDAnalysis/Makefile b/science/py-MDAnalysis/Makefile index 45c56890488b..81b0482018d6 100644 --- a/science/py-MDAnalysis/Makefile +++ b/science/py-MDAnalysis/Makefile @@ -1,41 +1,44 @@ PORTNAME= MDAnalysis DISTVERSION= 2.10.0 -PORTREVISION= 1 +PORTREVISION= 2 CATEGORIES= science python MASTER_SITES= PYPI PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} DISTNAME= ${PORTNAME:tl}-${DISTVERSION} MAINTAINER= yuri@FreeBSD.org COMMENT= Python library to analyze molecular dynamics trajectories WWW= https://www.mdanalysis.org LICENSE= GPLv2 LICENSE_FILE= ${WRKSRC}/LICENSE BUILD_DEPENDS= ${PYTHON_PKGNAMEPREFIX}numpy>=1.26.0:math/py-numpy@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}packaging>=2.0:devel/py-packaging@${PY_FLAVOR} RUN_DEPENDS= ${PYTHON_PKGNAMEPREFIX}GridDataFormats>=0.4.0:math/py-GridDataFormats@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}biopython>=1.80:biology/py-biopython@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}gsd>3.0.0:science/py-gsd@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}joblib>=0.12:devel/py-joblib@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}matplotlib>=1.5.1:math/py-matplotlib@${PY_FLAVOR} \ clustalw2:biology/clustalw \ rdkit>0:science/rdkit \ ${PYTHON_PKGNAMEPREFIX}mmtf-python>=1.0.0:science/py-mmtf-python@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}networkx>=2.0:math/py-networkx@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}numpy>=1.26.0:math/py-numpy@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}scipy>=1.5.0:science/py-scipy@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}seaborn>0:math/py-seaborn@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}tqdm>=4.43.0:misc/py-tqdm@${PY_FLAVOR} USES= compiler:c++11-lang python USE_PYTHON= distutils cython autoplist pytest -# tests as of 2.10.0 - .if !defined(WITH_DEBUG) LDFLAGS+= -s .endif +TEST_ENV= ${MAKE_ENV} PYTHONPATH=${STAGEDIR}${PYTHONPREFIX_SITELIBDIR} + +post-patch: + @${RM} -r ${WRKSRC}/doc + .include diff --git a/science/py-MDAnalysis/files/patch-MDAnalysis_lib_formats_src_xdrfile.c b/science/py-MDAnalysis/files/patch-MDAnalysis_lib_formats_src_xdrfile.c deleted file mode 100644 index d9dee2efbac3..000000000000 --- a/science/py-MDAnalysis/files/patch-MDAnalysis_lib_formats_src_xdrfile.c +++ /dev/null @@ -1,15 +0,0 @@ -- workaround for invalid C/C++ code, see https://github.com/MDAnalysis/mdanalysis/issues/4589 - ---- MDAnalysis/lib/formats/src/xdrfile.c.orig 2025-10-17 00:00:00 UTC -+++ MDAnalysis/lib/formats/src/xdrfile.c -@@ -132,8 +132,8 @@ struct XDR - int (*x_getbytes) (XDR *__xdrs, char *__addr, unsigned int __len); - int (*x_putbytes) (XDR *__xdrs, char *__addr, unsigned int __len); - /* two next routines are not 64-bit IO safe - don't use! */ -- int64_t (*x_getpostn) (XDR *__xdrs); -- int (*x_setpostn) (XDR *__xdrs, int64_t __pos, int __whence); -+ off_t (*x_getpostn) (XDR *__xdrs); -+ off_t (*x_setpostn) (XDR *__xdrs, off_t __pos, int __whence); - void (*x_destroy) (XDR *__xdrs); - } - *x_ops;