diff options
Diffstat (limited to 'science')
144 files changed, 446 insertions, 271 deletions
diff --git a/science/ALPSCore/Makefile b/science/ALPSCore/Makefile index cf74402f2eed..b2dcc2d64830 100644 --- a/science/ALPSCore/Makefile +++ b/science/ALPSCore/Makefile @@ -3,7 +3,7 @@ DISTVERSIONPREFIX= v DISTVERSION= 2.3.2 CATEGORIES= science -MAINTAINER= alster@vinterdalen.se +MAINTAINER= alven@FreeBSD.org COMMENT= Generic algorithms and utilities for condensed matter physics WWW= https://alpscore.org/ \ https://github.com/ALPSCore/ALPSCore/ diff --git a/science/afni/Makefile b/science/afni/Makefile index bd4a59145946..c555c6c25e04 100644 --- a/science/afni/Makefile +++ b/science/afni/Makefile @@ -1,6 +1,6 @@ PORTNAME= afni DISTVERSIONPREFIX= AFNI_ -DISTVERSION= 25.2.05 +DISTVERSION= 25.2.09 CATEGORIES= science biology graphics perl5 python MAINTAINER= fernape@FreeBSD.org diff --git a/science/afni/distinfo b/science/afni/distinfo index 933eea829f78..4ec769ac8338 100644 --- a/science/afni/distinfo +++ b/science/afni/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1753208153 -SHA256 (afni-afni-AFNI_25.2.05_GH0.tar.gz) = 7648e71187874d1602afdaa0c776b945c8d236e3a9c6b48439cf0a160d97c4a8 -SIZE (afni-afni-AFNI_25.2.05_GH0.tar.gz) = 53317967 +TIMESTAMP = 1756108500 +SHA256 (afni-afni-AFNI_25.2.09_GH0.tar.gz) = ff6aacf8a4f2b0b60ea584ece08e23db665488bfb1978957f05f30df6c394e05 +SIZE (afni-afni-AFNI_25.2.09_GH0.tar.gz) = 53321640 diff --git a/science/agrum/Makefile b/science/agrum/Makefile index 5046ef8d6bc2..e65dbffd8d4e 100644 --- a/science/agrum/Makefile +++ b/science/agrum/Makefile @@ -1,5 +1,6 @@ PORTNAME= agrum -DISTVERSION= 2.1.1 +DISTVERSION= 2.2.0 +PORTREVISION= 1 CATEGORIES= science math MAINTAINER= yuri@FreeBSD.org @@ -20,7 +21,7 @@ LLD_UNSAFE= yes USE_GITLAB= yes GL_ACCOUNT= agrumery GL_PROJECT= aGrUM -GL_TAGNAME= d15a377b0f745a6afd15139d780b23056305a851 +GL_TAGNAME= cf1283f783aa6803bafbd9a3fb4991316c1b52d9 SHEBANG_FILES= act @@ -58,8 +59,10 @@ PYTHON_RUN_DEPENDS= ${PYNUMPY} \ BINARY_ALIAS= gcc=${CC} g++=${CXX} # only for tests, see https://gitlab.com/agrumery/aGrUM/-/issues/100 -do-test: # tests fail to compile, see https://gitlab.com/agrumery/aGrUM/-/issues/148 +do-test: @cd ${WRKSRC} && \ ${SETENV} ${MAKE_ENV} ./act test release agrum -t all +# tests as of 2.2.0: Failed 0 of 1483 tests + .include <bsd.port.mk> diff --git a/science/agrum/distinfo b/science/agrum/distinfo index 13627e87a707..62c51836a6d8 100644 --- a/science/agrum/distinfo +++ b/science/agrum/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1750005327 -SHA256 (agrumery-aGrUM-d15a377b0f745a6afd15139d780b23056305a851_GL0.tar.gz) = 21f6ad004e8ff15d4b41fb6e30f8c60db3631a84d756bd91d3972432710f8048 -SIZE (agrumery-aGrUM-d15a377b0f745a6afd15139d780b23056305a851_GL0.tar.gz) = 28781050 +TIMESTAMP = 1753632410 +SHA256 (agrumery-aGrUM-cf1283f783aa6803bafbd9a3fb4991316c1b52d9_GL0.tar.gz) = 57f7274925f64129c2f3bfcd178f75edd4cb6eaff1d06c30f20c85c41e6ca3d9 +SIZE (agrumery-aGrUM-cf1283f783aa6803bafbd9a3fb4991316c1b52d9_GL0.tar.gz) = 29175753 diff --git a/science/agrum/pkg-plist b/science/agrum/pkg-plist index 123d787ba5bd..9fe1f9999703 100644 --- a/science/agrum/pkg-plist +++ b/science/agrum/pkg-plist @@ -180,6 +180,7 @@ include/agrum/BN/learning/localSearchWithTabuList_tpl.h include/agrum/BN/learning/paramUtils/DAG2BNLearner.h include/agrum/BN/learning/paramUtils/DAG2BNLearner_inl.h include/agrum/BN/learning/paramUtils/DAG2BNLearner_tpl.h +include/agrum/BN/learning/paramUtils/EMApproximationScheme.h include/agrum/BN/learning/paramUtils/paramEstimator.h include/agrum/BN/learning/paramUtils/paramEstimatorML.h include/agrum/BN/learning/paramUtils/paramEstimatorML_inl.h diff --git a/science/arbor/Makefile b/science/arbor/Makefile index 15368c1b0ac6..d2d6e0cf6ef2 100644 --- a/science/arbor/Makefile +++ b/science/arbor/Makefile @@ -1,7 +1,7 @@ PORTNAME= arbor DISTVERSIONPREFIX= v DISTVERSION= 0.10.1 -PORTREVISION= 2 +PORTREVISION= 3 CATEGORIES= science MAINTAINER= yuri@FreeBSD.org diff --git a/science/axom/Makefile b/science/axom/Makefile index 35f116e96434..58c94b7ba017 100644 --- a/science/axom/Makefile +++ b/science/axom/Makefile @@ -1,6 +1,7 @@ PORTNAME= axom DISTVERSIONPREFIX= v DISTVERSION= 0.10.1 +PORTREVISION= 1 CATEGORIES= science MAINTAINER= yuri@FreeBSD.org diff --git a/science/bout++-merging-filaments/Makefile b/science/bout++-merging-filaments/Makefile index ccb4d19ed74d..be54402f7732 100644 --- a/science/bout++-merging-filaments/Makefile +++ b/science/bout++-merging-filaments/Makefile @@ -1,6 +1,6 @@ PORTNAME= bout++-merging-filaments DISTVERSION= g20200812 -PORTREVISION= 1 +PORTREVISION= 2 CATEGORIES= science # physics MAINTAINER= yuri@FreeBSD.org diff --git a/science/bout++/Makefile b/science/bout++/Makefile index bbdf2813b4cd..2e49f217994d 100644 --- a/science/bout++/Makefile +++ b/science/bout++/Makefile @@ -1,7 +1,7 @@ PORTNAME= bout++ DISTVERSIONPREFIX= v DISTVERSION= 5.1.1 -PORTREVISION= 2 +PORTREVISION= 4 CATEGORIES= science math # physics MAINTAINER= yuri@FreeBSD.org diff --git a/science/cantera/Makefile b/science/cantera/Makefile index ebaa5cf75809..aea50ad6e4a7 100644 --- a/science/cantera/Makefile +++ b/science/cantera/Makefile @@ -1,7 +1,7 @@ PORTNAME= cantera DISTVERSIONPREFIX= v DISTVERSION= 3.1.0 -PORTREVISION= 1 +PORTREVISION= 3 CATEGORIES= science # chemistry physics MAINTAINER= yuri@FreeBSD.org diff --git a/science/cdf/Makefile b/science/cdf/Makefile index 803a95f11b0d..edc94cf929c9 100644 --- a/science/cdf/Makefile +++ b/science/cdf/Makefile @@ -5,7 +5,7 @@ MASTER_SITES= https://spdf.gsfc.nasa.gov/pub/software/cdf/dist/cdf39_1/ DISTNAME= cdf${VER}-dist-cdf DIST_SUBDIR= ${PORTNAME}-${PORTVERSION} -MAINTAINER= alster@vinterdalen.se +MAINTAINER= alven@FreeBSD.org COMMENT= Device independent view of the CDF data model WWW= https://cdf.gsfc.nasa.gov/ diff --git a/science/cdo/Makefile b/science/cdo/Makefile index 783eae420b68..43c111203c7c 100644 --- a/science/cdo/Makefile +++ b/science/cdo/Makefile @@ -1,8 +1,7 @@ PORTNAME= cdo -PORTVERSION= 2.5.2 -PORTREVISION= 1 +PORTVERSION= 2.5.3 CATEGORIES= science -MASTER_SITES= https://code.mpimet.mpg.de/attachments/download/29938/ \ +MASTER_SITES= https://code.mpimet.mpg.de/attachments/download/30034/ \ LOCAL/sunpoet MAINTAINER= sunpoet@FreeBSD.org diff --git a/science/cdo/distinfo b/science/cdo/distinfo index fea6c9bb59e8..99abd7f5e917 100644 --- a/science/cdo/distinfo +++ b/science/cdo/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1747715302 -SHA256 (cdo-2.5.2.tar.gz) = 3b28da72d75547663b1b9b08332bfe3f884d27742d0eeeb7f3c8b2c70f521fa9 -SIZE (cdo-2.5.2.tar.gz) = 13966550 +TIMESTAMP = 1755062464 +SHA256 (cdo-2.5.3.tar.gz) = 0145cdba866a02b3e9b269e2ff7728ce61e21761332888041f05dc033676fa08 +SIZE (cdo-2.5.3.tar.gz) = 14007141 diff --git a/science/cdo/files/patch-powerpc64 b/science/cdo/files/patch-powerpc64 index f903f05da1fc..5d6dd67a4dc3 100644 --- a/science/cdo/files/patch-powerpc64 +++ b/science/cdo/files/patch-powerpc64 @@ -1,4 +1,4 @@ ---- libcdi/src/cgribexlib.c.orig 2024-02-02 10:51:13 UTC +--- libcdi/src/cgribexlib.c.orig 2025-07-14 15:03:05 UTC +++ libcdi/src/cgribexlib.c @@ -10,7 +10,7 @@ #pragma GCC diagnostic warning "-Wstrict-overflow" @@ -9,31 +9,31 @@ #pragma options nostrict #include <ppu_intrinsics.h> #endif -@@ -766,21 +766,21 @@ pwr6_minmax_val_double_unrolled6(const double *restric +@@ -752,21 +752,21 @@ pwr6_minmax_val_double_unrolled6(const double *restric + { + for (size_t j = 0; j < __UNROLL_DEPTH_1; ++j) { - for (size_t j = 0; j < __UNROLL_DEPTH_1; ++j) - { -- dmin[j] = __fsel(dmin[j] - data[i + j], data[i + j], dmin[j]); -- dmax[j] = __fsel(data[i + j] - dmax[j], data[i + j], dmax[j]); -+ dmin[j] = __builtin_ppc_fsel(dmin[j] - data[i + j], data[i + j], dmin[j]); -+ dmax[j] = __builtin_ppc_fsel(data[i + j] - dmax[j], data[i + j], dmax[j]); - } +- dmin[j] = __fsel(dmin[j] - data[i + j], data[i + j], dmin[j]); +- dmax[j] = __fsel(data[i + j] - dmax[j], data[i + j], dmax[j]); ++ dmin[j] = __builtin_ppc_fsel(dmin[j] - data[i + j], data[i + j], dmin[j]); ++ dmax[j] = __builtin_ppc_fsel(data[i + j] - dmax[j], data[i + j], dmax[j]); } + } for (size_t j = 0; j < residual; ++j) - { -- dmin[j] = __fsel(dmin[j] - data[ofs + j], data[ofs + j], dmin[j]); -- dmax[j] = __fsel(data[ofs + j] - dmax[j], data[ofs + j], dmax[j]); -+ dmin[j] = __builtin_ppc_fsel(dmin[j] - data[ofs + j], data[ofs + j], dmin[j]); -+ dmax[j] = __builtin_ppc_fsel(data[ofs + j] - dmax[j], data[ofs + j], dmax[j]); - } + { +- dmin[j] = __fsel(dmin[j] - data[ofs + j], data[ofs + j], dmin[j]); +- dmax[j] = __fsel(data[ofs + j] - dmax[j], data[ofs + j], dmax[j]); ++ dmin[j] = __builtin_ppc_fsel(dmin[j] - data[ofs + j], data[ofs + j], dmin[j]); ++ dmax[j] = __builtin_ppc_fsel(data[ofs + j] - dmax[j], data[ofs + j], dmax[j]); + } for (size_t j = 0; j < __UNROLL_DEPTH_1; ++j) - { -- *fmin = __fsel(*fmin - dmin[j], dmin[j], *fmin); -- *fmax = __fsel(dmax[j] - *fmax, dmax[j], *fmax); -+ *fmin = __builtin_ppc_fsel(*fmin - dmin[j], dmin[j], *fmin); -+ *fmax = __builtin_ppc_fsel(dmax[j] - *fmax, dmax[j], *fmax); - } + { +- *fmin = __fsel(*fmin - dmin[j], dmin[j], *fmin); +- *fmax = __fsel(dmax[j] - *fmax, dmax[j], *fmax); ++ *fmin = __builtin_ppc_fsel(*fmin - dmin[j], dmin[j], *fmin); ++ *fmax = __builtin_ppc_fsel(dmax[j] - *fmax, dmax[j], *fmax); + } } #undef __UNROLL_DEPTH_1 diff --git a/science/chemical-mime-data/Makefile b/science/chemical-mime-data/Makefile index 064fad3e2128..f2cf0d3ea3dd 100644 --- a/science/chemical-mime-data/Makefile +++ b/science/chemical-mime-data/Makefile @@ -1,21 +1,28 @@ PORTNAME= chemical-mime-data PORTVERSION= 0.1.94 -PORTREVISION= 11 +PORTREVISION= 12 CATEGORIES= science -MASTER_SITES= SF/chemical-mime/${PORTNAME}/${PORTVERSION} - MAINTAINER= ports@FreeBSD.org COMMENT= Collection of chemical MIME types for UNIX desktops -WWW= http://chemical-mime.sourceforge.net/ +WWW= https://github.com/dleidert/chemical-mime + +LICENSE= LGPL21 +LICENSE_FILE= ${WRKSRC}/COPYING -USES= gettext-tools gmake gnome localbase:ldflags pathfix pkgconfig \ +USES= autoreconf gettext-tools gmake gnome localbase:ldflags pathfix pkgconfig \ shared-mime-info tar:bzip2 USE_GNOME= gnomemimedata intlhack librsvg2:build libxslt:build GNU_CONFIGURE= yes -CONFIGURE_ARGS= --disable-update-database +CONFIGURE_ARGS= --disable-update-database \ + --without-kde-magic + +USE_GITHUB= yes +GH_ACCOUNT= dleidert +GH_PROJECT= chemical-mime +GH_TAGNAME= 4fd66e3b3b7d922555d1e25587908b036805c45b post-patch: - @${REINPLACE_CMD} -e 's|*-*-solaris*|*| ; s|rsvg|rsvg-convert|g' ${WRKSRC}/configure - @${REINPLACE_CMD} -e 's|-f png $$< |-f png $$< > |' ${WRKSRC}/icons/hicolor/Makefile.in + @${REINPLACE_CMD} -e 's:acronym|alias|comment|:acronym|alias|comment|generic-icon|:' \ + ${WRKSRC}/xsl/cmd_freedesktop_org.xsl .include <bsd.port.mk> diff --git a/science/chemical-mime-data/distinfo b/science/chemical-mime-data/distinfo index d00a171cc183..efec878a86be 100644 --- a/science/chemical-mime-data/distinfo +++ b/science/chemical-mime-data/distinfo @@ -1,2 +1,3 @@ -SHA256 (chemical-mime-data-0.1.94.tar.bz2) = 4907cdf60e9edca0a453f6f24e9179ae9da085b67168e932ba44a4280316bff1 -SIZE (chemical-mime-data-0.1.94.tar.bz2) = 146077 +TIMESTAMP = 1753696974 +SHA256 (dleidert-chemical-mime-0.1.94-4fd66e3b3b7d922555d1e25587908b036805c45b_GH0.tar.gz) = f40fdf56ef14c67ab59b6ebb2e6d513ddf5070929695b62e04d9f40a2baccfff +SIZE (dleidert-chemical-mime-0.1.94-4fd66e3b3b7d922555d1e25587908b036805c45b_GH0.tar.gz) = 84515 diff --git a/science/chemical-mime-data/pkg-plist b/science/chemical-mime-data/pkg-plist index c22391dc17c7..aaf1cf38383d 100644 --- a/science/chemical-mime-data/pkg-plist +++ b/science/chemical-mime-data/pkg-plist @@ -1,26 +1,14 @@ libdata/pkgconfig/chemical-mime-data.pc -share/doc/chemical-mime-data/chemical-mime-data.html -share/doc/chemical-mime-data/cmd.css -share/doc/chemical-mime-data/index.html -share/icons/hicolor/16x16/mimetypes/gnome-mime-chemical.png -share/icons/hicolor/22x22/mimetypes/gnome-mime-chemical.png -share/icons/hicolor/24x24/mimetypes/gnome-mime-chemical.png -share/icons/hicolor/32x32/mimetypes/gnome-mime-chemical.png -share/icons/hicolor/36x36/mimetypes/gnome-mime-chemical.png -share/icons/hicolor/48x48/mimetypes/gnome-mime-chemical.png -share/icons/hicolor/64x64/mimetypes/gnome-mime-chemical.png -share/icons/hicolor/72x72/mimetypes/gnome-mime-chemical.png -share/icons/hicolor/96x96/mimetypes/gnome-mime-chemical.png -share/icons/hicolor/128x128/mimetypes/gnome-mime-chemical.png -share/icons/hicolor/192x192/mimetypes/gnome-mime-chemical.png -share/icons/hicolor/scalable/mimetypes/gnome-mime-chemical.svgz +%%DATADIR%%/file/magic.mime +%%DATADIR%%/mime.types share/locale/de/LC_MESSAGES/chemical-mime-data.mo share/locale/fr/LC_MESSAGES/chemical-mime-data.mo -share/pixmaps/chemistry.png -share/pixmaps/gnome-mime-chemical.png -share/mime/packages/chemical-mime-data.xml share/mime-info/chemical-mime-data.keys share/mime-info/chemical-mime-data.mime +share/mime/packages/chemical-mime-data.xml +share/mimelnk/chemical/cml.desktop +share/mimelnk/chemical/pdb.desktop +share/mimelnk/chemical/seq-na-genbank.desktop share/mimelnk/chemical/x-alchemy.desktop share/mimelnk/chemical/x-cache.desktop share/mimelnk/chemical/x-cactvs-ascii.desktop @@ -31,11 +19,18 @@ share/mimelnk/chemical/x-cdxml.desktop share/mimelnk/chemical/x-chem3d.desktop share/mimelnk/chemical/x-cif.desktop share/mimelnk/chemical/x-cml.desktop +share/mimelnk/chemical/x-daylight-smiles.desktop share/mimelnk/chemical/x-dmol.desktop share/mimelnk/chemical/x-gamess-input.desktop share/mimelnk/chemical/x-gamess-output.desktop share/mimelnk/chemical/x-gaussian-input.desktop share/mimelnk/chemical/x-gaussian-log.desktop +share/mimelnk/chemical/x-gaussian-output.desktop +share/mimelnk/chemical/x-gaussian.desktop +share/mimelnk/chemical/x-gaussian03-output.desktop +share/mimelnk/chemical/x-gaussian92-output.desktop +share/mimelnk/chemical/x-gaussian94-output.desktop +share/mimelnk/chemical/x-gaussian98-output.desktop share/mimelnk/chemical/x-genbank.desktop share/mimelnk/chemical/x-gulp.desktop share/mimelnk/chemical/x-hin.desktop @@ -46,18 +41,24 @@ share/mimelnk/chemical/x-macromodel-input.desktop share/mimelnk/chemical/x-mdl-molfile.desktop share/mimelnk/chemical/x-mdl-rdfile.desktop share/mimelnk/chemical/x-mdl-rxnfile.desktop +share/mimelnk/chemical/x-mdl-sdfile.desktop share/mimelnk/chemical/x-mdl-tgf.desktop share/mimelnk/chemical/x-mmcif.desktop share/mimelnk/chemical/x-mol2.desktop share/mimelnk/chemical/x-mopac-graph.desktop +share/mimelnk/chemical/x-mopac-input.desktop share/mimelnk/chemical/x-mopac-out.desktop +share/mimelnk/chemical/x-mopac.desktop share/mimelnk/chemical/x-msi-car.desktop share/mimelnk/chemical/x-msi-hessian.desktop share/mimelnk/chemical/x-msi-mdf.desktop share/mimelnk/chemical/x-msi-msi.desktop +share/mimelnk/chemical/x-ncbi-asn1-ascii.desktop share/mimelnk/chemical/x-ncbi-asn1-binary.desktop share/mimelnk/chemical/x-ncbi-asn1-xml.desktop share/mimelnk/chemical/x-ncbi-asn1.desktop +share/mimelnk/chemical/x-pdb.desktop share/mimelnk/chemical/x-shelx.desktop share/mimelnk/chemical/x-vmd.desktop share/mimelnk/chemical/x-xyz.desktop +share/mimelnk/chemical/xyz.desktop diff --git a/science/chemicalfun/Makefile b/science/chemicalfun/Makefile index 02ab01468d81..9b3afed93586 100644 --- a/science/chemicalfun/Makefile +++ b/science/chemicalfun/Makefile @@ -1,6 +1,6 @@ PORTNAME= chemicalfun DISTVERSION= 0.1.8 -PORTREVISION= 2 +PORTREVISION= 3 CATEGORIES= science # chemistry MASTER_SITES= https://bitbucket.org/${BB_ACCOUNT}/${PORTNAME}/get/${BB_COMMIT}${EXTRACT_SUFX}?dummy=/:src DISTFILES= ${PORTNAME}-${DISTVERSION}${EXTRACT_SUFX}:src diff --git a/science/code_saturne/Makefile b/science/code_saturne/Makefile index e1ea21b89e25..3431d8506e0c 100644 --- a/science/code_saturne/Makefile +++ b/science/code_saturne/Makefile @@ -1,6 +1,6 @@ PORTNAME= code_saturne PORTVERSION= 8.1.1 -PORTREVISION= 4 +PORTREVISION= 5 CATEGORIES= science parallel MASTER_SITES= https://www.code-saturne.org/releases/ diff --git a/science/cp2k-data/Makefile b/science/cp2k-data/Makefile index 8bc9337cd7b9..bc2ad72bb356 100644 --- a/science/cp2k-data/Makefile +++ b/science/cp2k-data/Makefile @@ -1,6 +1,6 @@ PORTNAME= cp2k-data DISTVERSIONPREFIX= v -DISTVERSION= 2025.1 +DISTVERSION= 2025.2 CATEGORIES= science MAINTAINER= yuri@FreeBSD.org diff --git a/science/cp2k-data/distinfo b/science/cp2k-data/distinfo index 004194f14912..264eccf26d02 100644 --- a/science/cp2k-data/distinfo +++ b/science/cp2k-data/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1735891303 -SHA256 (cp2k-cp2k-v2025.1_GH0.tar.gz) = 9b58062b9aed51de06cb1248f5dbeab2741962f03eb72c4025b9d0533af1805e -SIZE (cp2k-cp2k-v2025.1_GH0.tar.gz) = 87315415 +TIMESTAMP = 1753646804 +SHA256 (cp2k-cp2k-v2025.2_GH0.tar.gz) = 02432be1f6b56bab1d4b43e86e28ba495405d6f4015f2610f3376d56495ef74b +SIZE (cp2k-cp2k-v2025.2_GH0.tar.gz) = 88095973 diff --git a/science/cp2k-data/pkg-plist b/science/cp2k-data/pkg-plist index 3e641bb9296c..27d24338488a 100644 --- a/science/cp2k-data/pkg-plist +++ b/science/cp2k-data/pkg-plist @@ -1,6 +1,7 @@ %%DATADIR%%/ALL_BASIS_SETS %%DATADIR%%/ALL_POTENTIALS %%DATADIR%%/AcPP1_POTENTIALS +%%DATADIR%%/AcPP2_POTENTIALS %%DATADIR%%/Allegro/gra-water-deployed-neq060sp.pth %%DATADIR%%/Allegro/si-deployed-neq060dp.pth %%DATADIR%%/BASIS_ADMM @@ -12,6 +13,7 @@ %%DATADIR%%/BASIS_MINIX %%DATADIR%%/BASIS_MOLOPT %%DATADIR%%/BASIS_MOLOPT_AcPP1 +%%DATADIR%%/BASIS_MOLOPT_AcPP2 %%DATADIR%%/BASIS_MOLOPT_LnPP1 %%DATADIR%%/BASIS_MOLOPT_LnPP2 %%DATADIR%%/BASIS_MOLOPT_PSI @@ -139,7 +141,7 @@ %%DATADIR%%/DFTB/scc/zns.spl %%DATADIR%%/DFTB/scc/znzn.spl %%DATADIR%%/DFTB/uff_table -%%DATADIR%%/DeePMD/W.pb +%%DATADIR%%/DeePMD/water_dpa2.pth %%DATADIR%%/ECP_POTENTIALS %%DATADIR%%/ECP_POTENTIALS_pob-TZVP-rev2 %%DATADIR%%/EMSL_BASIS_SETS @@ -185,6 +187,17 @@ %%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-8/scaling.data %%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-8/weights.001.data %%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-8/weights.008.data +%%DATADIR%%/NNP/protH2OHelium-interaction-nnp/input.nn +%%DATADIR%%/NNP/protH2OHelium-interaction-nnp/readme.md +%%DATADIR%%/NNP/protH2OHelium-interaction-nnp/scaling.data +%%DATADIR%%/NNP/protH2OHelium-interaction-nnp/weights.001.data +%%DATADIR%%/NNP/protH2OHelium-interaction-nnp/weights.002.data +%%DATADIR%%/NNP/protH2OHelium-interaction-nnp/weights.008.data +%%DATADIR%%/NNP/protH2Ocluster-jctc2020-nnp/input.nn +%%DATADIR%%/NNP/protH2Ocluster-jctc2020-nnp/readme.md +%%DATADIR%%/NNP/protH2Ocluster-jctc2020-nnp/scaling.data +%%DATADIR%%/NNP/protH2Ocluster-jctc2020-nnp/weights.001.data +%%DATADIR%%/NNP/protH2Ocluster-jctc2020-nnp/weights.008.data %%DATADIR%%/NequIP/water-deployed-neq060dp.pth %%DATADIR%%/NequIP/water-deployed-neq060sp.pth %%DATADIR%%/POTENTIAL diff --git a/science/cp2k/Makefile b/science/cp2k/Makefile index f6b05741f098..46e7081d3302 100644 --- a/science/cp2k/Makefile +++ b/science/cp2k/Makefile @@ -1,7 +1,6 @@ PORTNAME= cp2k DISTVERSIONPREFIX= v -DISTVERSION= 2025.1 -PORTREVISION= 2 +DISTVERSION= 2025.2 CATEGORIES= science MAINTAINER= yuri@FreeBSD.org @@ -61,5 +60,6 @@ do-test: install ./tests/do_regtest.py ${BUILD_WRKSRC}/bin ${EXE_VERSION} # build instructions: https://github.com/cp2k/cp2k/blob/master/INSTALL.md +# tests as of 2025.2: Summary: correct: 3009 / 3012; failed: 3; 141min .include <bsd.port.mk> diff --git a/science/cp2k/distinfo b/science/cp2k/distinfo index e6c365e0e377..aee1bed85e63 100644 --- a/science/cp2k/distinfo +++ b/science/cp2k/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1735886722 -SHA256 (cp2k-cp2k-v2025.1_GH0.tar.gz) = 9b58062b9aed51de06cb1248f5dbeab2741962f03eb72c4025b9d0533af1805e -SIZE (cp2k-cp2k-v2025.1_GH0.tar.gz) = 87315415 +TIMESTAMP = 1753641251 +SHA256 (cp2k-cp2k-v2025.2_GH0.tar.gz) = 02432be1f6b56bab1d4b43e86e28ba495405d6f4015f2610f3376d56495ef74b +SIZE (cp2k-cp2k-v2025.2_GH0.tar.gz) = 88095973 diff --git a/science/cp2k/files/patch-cmake_CompilerConfiguration.cmake b/science/cp2k/files/patch-cmake_CompilerConfiguration.cmake index 1ec302774635..3b5407d20736 100644 --- a/science/cp2k/files/patch-cmake_CompilerConfiguration.cmake +++ b/science/cp2k/files/patch-cmake_CompilerConfiguration.cmake @@ -1,11 +1,37 @@ ---- cmake/CompilerConfiguration.cmake.orig 2024-09-04 05:25:49 UTC +--- cmake/CompilerConfiguration.cmake.orig 2025-07-23 08:02:03 UTC +++ cmake/CompilerConfiguration.cmake -@@ -35,7 +35,7 @@ add_compile_options( - # https://github.com/cp2k/dbcsr/issues/261 eventually check compiler version - # (similar to -h system_alloc) - add_compile_options( -- "$<$<COMPILE_LANG_AND_ID:Fortran,GNU>:-mtune=native;-ffree-line-length-512;-ffree-form;-std=f2008;-fimplicit-none;-Werror=aliasing;-Werror=ampersand;-Werror=c-binding-type;-Werror=conversion;-Werror=intrinsic-shadow;-Werror=intrinsics-std;-Werror=line-truncation;-Werror=tabs;-Werror=target-lifetime;-Werror=underflow;-Werror=unused-but-set-variable;-Werror=unused-variable>" -+ "$<$<COMPILE_LANG_AND_ID:Fortran,GNU>:-ffree-line-length-512;-ffree-form;-std=f2008;-fimplicit-none;-Werror=aliasing;-Werror=ampersand;-Werror=c-binding-type;-Werror=conversion;-Werror=intrinsic-shadow;-Werror=intrinsics-std;-Werror=line-truncation;-Werror=tabs;-Werror=target-lifetime;-Werror=underflow;-Werror=unused-but-set-variable;-Werror=unused-variable>" - "$<$<AND:$<COMPILE_LANG_AND_ID:Fortran,GNU>,$<VERSION_GREATER_EQUAL:${CMAKE_Fortran_COMPILER_VERSION},11>>:-fallow-argument-mismatch>" - "$<$<COMPILE_LANG_AND_ID:Fortran,Intel>:-free -stand=f18 -fpp -heap-arrays>" - "$<$<COMPILE_LANG_AND_ID:Fortran,PGI>:-Mfreeform -Mextend -Mallocatable=03>" +@@ -53,9 +53,9 @@ add_compile_options( + + # Release + add_compile_options( +- "$<$<AND:$<CONFIG:RELEASE>,$<COMPILE_LANG_AND_ID:Fortran,GNU>>:-O3;-march=native;-mtune=native;-funroll-loops>" +- "$<$<AND:$<CONFIG:RELEASE>,$<COMPILE_LANG_AND_ID:CXX,GNU>>:-O3;-march=native;-mtune=native;-funroll-loops>" +- "$<$<AND:$<CONFIG:RELEASE>,$<COMPILE_LANG_AND_ID:C,GNU>>:-O3;-march=native;-mtune=native;-funroll-loops>" ++ "$<$<AND:$<CONFIG:RELEASE>,$<COMPILE_LANG_AND_ID:Fortran,GNU>>:-O3;-funroll-loops>" ++ "$<$<AND:$<CONFIG:RELEASE>,$<COMPILE_LANG_AND_ID:CXX,GNU>>:-O3;-funroll-loops>" ++ "$<$<AND:$<CONFIG:RELEASE>,$<COMPILE_LANG_AND_ID:C,GNU>>:-O3;-funroll-loops>" + ) + + # Generic +@@ -67,9 +67,9 @@ add_compile_options( + + # Debug + add_compile_options( +- "$<$<AND:$<CONFIG:DEBUG>,$<COMPILE_LANG_AND_ID:Fortran,GNU>>:-O1;-march=native;-mtune=native>" +- "$<$<AND:$<CONFIG:DEBUG>,$<COMPILE_LANG_AND_ID:CXX,GNU>>:-O1;-march=native;-mtune=native>" +- "$<$<AND:$<CONFIG:DEBUG>,$<COMPILE_LANG_AND_ID:C,GNU>>:-O1;-march=native;-mtune=native>" ++ "$<$<AND:$<CONFIG:DEBUG>,$<COMPILE_LANG_AND_ID:Fortran,GNU>>:-O1>" ++ "$<$<AND:$<CONFIG:DEBUG>,$<COMPILE_LANG_AND_ID:CXX,GNU>>:-O1>" ++ "$<$<AND:$<CONFIG:DEBUG>,$<COMPILE_LANG_AND_ID:C,GNU>>:-O1>" + ) + add_compile_options( + "$<$<AND:$<CONFIG:DEBUG>,$<COMPILE_LANG_AND_ID:Fortran,GNU>>:-fsanitize=leak;-Werror=realloc-lhs>" +@@ -100,7 +100,7 @@ add_compile_options( + + # Address Sanitizer + add_compile_options( +- "$<$<CONFIG:ASAN>:-fsanitize=address;-no-pie;-O3;-march=native;-mtune=native;-funroll-loops>" ++ "$<$<CONFIG:ASAN>:-fsanitize=address;-no-pie;-O3;-funroll-loops>" + ) + add_link_options("$<$<CONFIG:ASAN>:-fsanitize=address>") + diff --git a/science/cp2k/pkg-plist b/science/cp2k/pkg-plist index b502f43f6bfb..bc47f0049444 100644 --- a/science/cp2k/pkg-plist +++ b/science/cp2k/pkg-plist @@ -6,12 +6,15 @@ bin/dumpdcd%%SUFFIX%% bin/graph%%SUFFIX%% bin/grid_miniapp%%SUFFIX%% bin/grid_unittest%%SUFFIX%% +bin/gx_ac_unittest%%SUFFIX%% bin/libcp2k_unittest%%SUFFIX%% bin/memory_utilities_unittest%%SUFFIX%% bin/nequip_unittest%%SUFFIX%% bin/parallel_rng_types_unittest%%SUFFIX%% bin/xyz2dcd%%SUFFIX%% include/cp2k/libcp2k.h +include/cp2k/mod_files/ace_nlist.mod +include/cp2k/mod_files/ace_wrapper.mod include/cp2k/mod_files/admm_dm_methods.mod include/cp2k/mod_files/admm_dm_types.mod include/cp2k/mod_files/admm_methods.mod @@ -59,6 +62,7 @@ include/cp2k/mod_files/arnoldi_data_methods.mod include/cp2k/mod_files/arnoldi_geev.mod include/cp2k/mod_files/arnoldi_methods.mod include/cp2k/mod_files/arnoldi_types.mod +include/cp2k/mod_files/arnoldi_vector.mod include/cp2k/mod_files/atom.mod include/cp2k/mod_files/atom_admm_methods.mod include/cp2k/mod_files/atom_basis.mod @@ -146,6 +150,7 @@ include/cp2k/mod_files/cp_control_types.mod include/cp2k/mod_files/cp_control_utils.mod include/cp2k/mod_files/cp_dbcsr_api.mod include/cp2k/mod_files/cp_dbcsr_cholesky.mod +include/cp2k/mod_files/cp_dbcsr_contrib.mod include/cp2k/mod_files/cp_dbcsr_cp2k_link.mod include/cp2k/mod_files/cp_dbcsr_diag.mod include/cp2k/mod_files/cp_dbcsr_operations.mod @@ -209,7 +214,6 @@ include/cp2k/mod_files/ct_types.mod include/cp2k/mod_files/cube_utils.mod include/cp2k/mod_files/d3_poly.mod include/cp2k/mod_files/damping_dipole_types.mod -include/cp2k/mod_files/dbcsr_vector.mod include/cp2k/mod_files/dbm_api.mod include/cp2k/mod_files/dbm_tests.mod include/cp2k/mod_files/dbt_allocate_wrap.mod @@ -354,6 +358,7 @@ include/cp2k/mod_files/generic_os_integrals.mod include/cp2k/mod_files/generic_shg_integrals.mod include/cp2k/mod_files/generic_shg_integrals_init.mod include/cp2k/mod_files/geo_opt.mod +include/cp2k/mod_files/gfun.mod include/cp2k/mod_files/glbopt_callback.mod include/cp2k/mod_files/glbopt_history.mod include/cp2k/mod_files/glbopt_input.mod @@ -370,6 +375,7 @@ include/cp2k/mod_files/gopt_param_types.mod include/cp2k/mod_files/graph_methods.mod include/cp2k/mod_files/graph_utils.mod include/cp2k/mod_files/graphcon.mod +include/cp2k/mod_files/greenx_interface.mod include/cp2k/mod_files/grid_api.mod include/cp2k/mod_files/group_dist_types.mod include/cp2k/mod_files/grrm_utils.mod @@ -380,6 +386,7 @@ include/cp2k/mod_files/gw_large_cell_gamma.mod include/cp2k/mod_files/gw_main.mod include/cp2k/mod_files/gw_small_cell_full_kp.mod include/cp2k/mod_files/gw_utils.mod +include/cp2k/mod_files/hairy_probes.mod include/cp2k/mod_files/hartree_local_methods.mod include/cp2k/mod_files/hartree_local_types.mod include/cp2k/mod_files/hdf5_wrapper.mod @@ -505,7 +512,6 @@ include/cp2k/mod_files/kpoint_methods.mod include/cp2k/mod_files/kpoint_transitional.mod include/cp2k/mod_files/kpoint_types.mod include/cp2k/mod_files/kpsym.mod -include/cp2k/mod_files/lapack.mod include/cp2k/mod_files/lazy.mod include/cp2k/mod_files/lebedev.mod include/cp2k/mod_files/libcp2k.mod @@ -533,6 +539,7 @@ include/cp2k/mod_files/lri_optimize_ri_basis.mod include/cp2k/mod_files/lri_optimize_ri_basis_types.mod include/cp2k/mod_files/ls_matrix_exp.mod include/cp2k/mod_files/machine.mod +include/cp2k/mod_files/manybody_ace.mod include/cp2k/mod_files/manybody_allegro.mod include/cp2k/mod_files/manybody_deepmd.mod include/cp2k/mod_files/manybody_eam.mod @@ -790,6 +797,8 @@ include/cp2k/mod_files/qs_2nd_kernel_ao.mod include/cp2k/mod_files/qs_active_space_methods.mod include/cp2k/mod_files/qs_active_space_types.mod include/cp2k/mod_files/qs_active_space_utils.mod +include/cp2k/mod_files/qs_apt_fdiff_methods.mod +include/cp2k/mod_files/qs_apt_fdiff_types.mod include/cp2k/mod_files/qs_atomic_block.mod include/cp2k/mod_files/qs_band_structure.mod include/cp2k/mod_files/qs_basis_gradient.mod @@ -1001,10 +1010,6 @@ include/cp2k/mod_files/qs_tddfpt2_stda_utils.mod include/cp2k/mod_files/qs_tddfpt2_subgroups.mod include/cp2k/mod_files/qs_tddfpt2_types.mod include/cp2k/mod_files/qs_tddfpt2_utils.mod -include/cp2k/mod_files/qs_tddfpt_eigensolver.mod -include/cp2k/mod_files/qs_tddfpt_module.mod -include/cp2k/mod_files/qs_tddfpt_types.mod -include/cp2k/mod_files/qs_tddfpt_utils.mod include/cp2k/mod_files/qs_tensors.mod include/cp2k/mod_files/qs_tensors_types.mod include/cp2k/mod_files/qs_update_s_mstruct.mod @@ -1027,6 +1032,8 @@ include/cp2k/mod_files/replica_types.mod include/cp2k/mod_files/response_solver.mod include/cp2k/mod_files/restraint.mod include/cp2k/mod_files/ri_environment_methods.mod +include/cp2k/mod_files/rixs_methods.mod +include/cp2k/mod_files/rixs_types.mod include/cp2k/mod_files/rmsd.mod include/cp2k/mod_files/routine_map.mod include/cp2k/mod_files/rpa_communication.mod @@ -1135,6 +1142,9 @@ include/cp2k/mod_files/tamc_run.mod include/cp2k/mod_files/taper_types.mod include/cp2k/mod_files/task_list_methods.mod include/cp2k/mod_files/task_list_types.mod +include/cp2k/mod_files/tblite_interface.mod +include/cp2k/mod_files/tblite_ks_matrix.mod +include/cp2k/mod_files/tblite_types.mod include/cp2k/mod_files/thermal_region_types.mod include/cp2k/mod_files/thermal_region_utils.mod include/cp2k/mod_files/thermostat_mapping.mod @@ -1259,6 +1269,7 @@ include/cp2k/mod_files/xc_xbr_pbe_lda_hole_t_c_lr.mod include/cp2k/mod_files/xc_xlda_hole_t_c_lr.mod include/cp2k/mod_files/xc_xpbe_hole_t_c_lr.mod include/cp2k/mod_files/xc_xwpbe.mod +include/cp2k/mod_files/xmgrace.mod include/cp2k/mod_files/xray_diffraction.mod include/cp2k/mod_files/xtb_coulomb.mod include/cp2k/mod_files/xtb_eeq.mod @@ -1270,11 +1281,13 @@ include/cp2k/mod_files/xtb_ks_matrix.mod include/cp2k/mod_files/xtb_matrices.mod include/cp2k/mod_files/xtb_parameters.mod include/cp2k/mod_files/xtb_potentials.mod +include/cp2k/mod_files/xtb_qresp.mod include/cp2k/mod_files/xtb_types.mod lib/cmake/cp2k/cp2kConfig.cmake lib/cmake/cp2k/cp2kConfigVersion.cmake lib/cmake/cp2k/cp2kTargets-%%CMAKE_BUILD_TYPE%%.cmake lib/cmake/cp2k/cp2kTargets.cmake +lib/cmake/cp2k/modules/FindACE.cmake lib/cmake/cp2k/modules/FindArmpl.cmake lib/cmake/cp2k/modules/FindAtlas.cmake lib/cmake/cp2k/modules/FindBlas.cmake @@ -1288,28 +1301,25 @@ lib/cmake/cp2k/modules/FindGenericBLAS.cmake lib/cmake/cp2k/modules/FindLapack.cmake lib/cmake/cp2k/modules/FindLibVDWXC.cmake lib/cmake/cp2k/modules/FindLibVORI.cmake -lib/cmake/cp2k/modules/FindLibXC.cmake lib/cmake/cp2k/modules/FindLibXSMM.cmake lib/cmake/cp2k/modules/FindLibint2.cmake lib/cmake/cp2k/modules/FindMKL.cmake -lib/cmake/cp2k/modules/FindMetis.cmake lib/cmake/cp2k/modules/FindNVHPCBlas.cmake lib/cmake/cp2k/modules/FindOpenBLAS.cmake -lib/cmake/cp2k/modules/FindPEXSI.cmake lib/cmake/cp2k/modules/FindPlumed.cmake -lib/cmake/cp2k/modules/FindPtscotch.cmake -lib/cmake/cp2k/modules/FindQuip.cmake lib/cmake/cp2k/modules/FindSCALAPACK.cmake lib/cmake/cp2k/modules/FindSCI.cmake -lib/cmake/cp2k/modules/FindSuperLU.cmake +lib/cmake/cp2k/modules/FindTrexIO.cmake +lib/cmake/cp2k/modules/Findlibsmeagol.cmake lib/cmake/cp2k/modules/Finducc.cmake lib/cmake/cp2k/modules/cp2k_utils.cmake lib/libcp2k.so -lib/libcp2k.so.2025.1 +lib/libcp2k.so.2025.2 libdata/pkgconfig/libcp2k.pc %%DATADIR%%/data/ALL_BASIS_SETS %%DATADIR%%/data/ALL_POTENTIALS %%DATADIR%%/data/AcPP1_POTENTIALS +%%DATADIR%%/data/AcPP2_POTENTIALS %%DATADIR%%/data/Allegro/gra-water-deployed-neq060sp.pth %%DATADIR%%/data/Allegro/si-deployed-neq060dp.pth %%DATADIR%%/data/BASIS_ADMM @@ -1321,6 +1331,7 @@ libdata/pkgconfig/libcp2k.pc %%DATADIR%%/data/BASIS_MINIX %%DATADIR%%/data/BASIS_MOLOPT %%DATADIR%%/data/BASIS_MOLOPT_AcPP1 +%%DATADIR%%/data/BASIS_MOLOPT_AcPP2 %%DATADIR%%/data/BASIS_MOLOPT_LnPP1 %%DATADIR%%/data/BASIS_MOLOPT_LnPP2 %%DATADIR%%/data/BASIS_MOLOPT_PSI @@ -1448,7 +1459,7 @@ libdata/pkgconfig/libcp2k.pc %%DATADIR%%/data/DFTB/scc/zns.spl %%DATADIR%%/data/DFTB/scc/znzn.spl %%DATADIR%%/data/DFTB/uff_table -%%DATADIR%%/data/DeePMD/W.pb +%%DATADIR%%/data/DeePMD/water_dpa2.pth %%DATADIR%%/data/ECP_POTENTIALS %%DATADIR%%/data/ECP_POTENTIALS_pob-TZVP-rev2 %%DATADIR%%/data/EMSL_BASIS_SETS @@ -1494,6 +1505,17 @@ libdata/pkgconfig/libcp2k.pc %%DATADIR%%/data/NNP/bulkH2O-jcp2020-cnnp/nnp-8/scaling.data %%DATADIR%%/data/NNP/bulkH2O-jcp2020-cnnp/nnp-8/weights.001.data %%DATADIR%%/data/NNP/bulkH2O-jcp2020-cnnp/nnp-8/weights.008.data +%%DATADIR%%/data/NNP/protH2OHelium-interaction-nnp/input.nn +%%DATADIR%%/data/NNP/protH2OHelium-interaction-nnp/readme.md +%%DATADIR%%/data/NNP/protH2OHelium-interaction-nnp/scaling.data +%%DATADIR%%/data/NNP/protH2OHelium-interaction-nnp/weights.001.data +%%DATADIR%%/data/NNP/protH2OHelium-interaction-nnp/weights.002.data +%%DATADIR%%/data/NNP/protH2OHelium-interaction-nnp/weights.008.data +%%DATADIR%%/data/NNP/protH2Ocluster-jctc2020-nnp/input.nn +%%DATADIR%%/data/NNP/protH2Ocluster-jctc2020-nnp/readme.md +%%DATADIR%%/data/NNP/protH2Ocluster-jctc2020-nnp/scaling.data +%%DATADIR%%/data/NNP/protH2Ocluster-jctc2020-nnp/weights.001.data +%%DATADIR%%/data/NNP/protH2Ocluster-jctc2020-nnp/weights.008.data %%DATADIR%%/data/NequIP/water-deployed-neq060dp.pth %%DATADIR%%/data/NequIP/water-deployed-neq060sp.pth %%DATADIR%%/data/POTENTIAL diff --git a/science/csvtk/Makefile b/science/csvtk/Makefile index 707410f4fa7a..acaa471d2f00 100644 --- a/science/csvtk/Makefile +++ b/science/csvtk/Makefile @@ -1,7 +1,7 @@ PORTNAME= csvtk DISTVERSIONPREFIX= v -DISTVERSION= 0.33.0 -PORTREVISION= 4 +DISTVERSION= 0.34.0 +PORTREVISION= 2 CATEGORIES= science MAINTAINER= jwb@FreeBSD.org diff --git a/science/csvtk/distinfo b/science/csvtk/distinfo index 2baa84299593..0dfce56d9fa9 100644 --- a/science/csvtk/distinfo +++ b/science/csvtk/distinfo @@ -1,7 +1,7 @@ -TIMESTAMP = 1741868386 -SHA256 (go/science_csvtk/csvtk-v0.33.0/v0.33.0.mod) = b5fff90dd2b700db63cca9340ed60790096bd3f0e6650b0e159d9fa860fcc121 -SIZE (go/science_csvtk/csvtk-v0.33.0/v0.33.0.mod) = 2688 -SHA256 (go/science_csvtk/csvtk-v0.33.0/v0.33.0.zip) = 54d692d43c8c6dbd578355c7e810a658b52f68513e6a6246df192e139d6c1f3b -SIZE (go/science_csvtk/csvtk-v0.33.0/v0.33.0.zip) = 2617821 -SHA256 (go/science_csvtk/csvtk-v0.33.0/golang-sys-v0.6.0_GH0.tar.gz) = b4f6d17c7a128f76169964b437cb66b3f2dbf9a33361928ec19dfecf7b03fc54 -SIZE (go/science_csvtk/csvtk-v0.33.0/golang-sys-v0.6.0_GH0.tar.gz) = 1434234 +TIMESTAMP = 1753550609 +SHA256 (go/science_csvtk/csvtk-v0.34.0/v0.34.0.mod) = 485d911da4192efc1aaf72df722990fb897f03cdac18aff77fee199a3dab507f +SIZE (go/science_csvtk/csvtk-v0.34.0/v0.34.0.mod) = 2607 +SHA256 (go/science_csvtk/csvtk-v0.34.0/v0.34.0.zip) = aa1a8825b1c69e507717b825c270d9849234ee21da04f0b58d9f064056f1c971 +SIZE (go/science_csvtk/csvtk-v0.34.0/v0.34.0.zip) = 2656260 +SHA256 (go/science_csvtk/csvtk-v0.34.0/golang-sys-v0.6.0_GH0.tar.gz) = b4f6d17c7a128f76169964b437cb66b3f2dbf9a33361928ec19dfecf7b03fc54 +SIZE (go/science_csvtk/csvtk-v0.34.0/golang-sys-v0.6.0_GH0.tar.gz) = 1434234 diff --git a/science/dynare/Makefile b/science/dynare/Makefile index 0856cc00a8ed..d0babbf623e3 100644 --- a/science/dynare/Makefile +++ b/science/dynare/Makefile @@ -1,6 +1,6 @@ PORTNAME= dynare DISTVERSION= 5.4 -PORTREVISION= 13 +PORTREVISION= 14 CATEGORIES= science # economics MASTER_SITES= https://www.dynare.org/release/source/ diff --git a/science/eccodes/pkg-plist b/science/eccodes/pkg-plist index 29dff88bf736..52d540fa23dd 100644 --- a/science/eccodes/pkg-plist +++ b/science/eccodes/pkg-plist @@ -19886,7 +19886,7 @@ libdata/pkgconfig/eccodes.pc %%DATADIR%%/definitions/grib2/tables/34/5.6.table %%DATADIR%%/definitions/grib2/tables/34/5.7.table %%DATADIR%%/definitions/grib2/tables/34/6.0.table -%%DATADIR%%/definitions/grib2/tables/35/%%PERL_VER%%.table +%%DATADIR%%/definitions/grib2/tables/35/5.40.table %%DATADIR%%/definitions/grib2/tables/35/0.0.table %%DATADIR%%/definitions/grib2/tables/35/1.0.table %%DATADIR%%/definitions/grib2/tables/35/1.1.table diff --git a/science/fastjet/Makefile b/science/fastjet/Makefile index 8990a1950f62..00a5ee17b4c4 100644 --- a/science/fastjet/Makefile +++ b/science/fastjet/Makefile @@ -1,5 +1,5 @@ PORTNAME= fastjet -DISTVERSION= 3.4.3 +DISTVERSION= 3.5.1 CATEGORIES= science MASTER_SITES= https://fastjet.fr/repo/ @@ -46,7 +46,7 @@ post-install: @${STRIP_CMD} ${STAGEDIR}${PREFIX}/lib/lib*.so* post-install-PYTHON-on: - @${STRIP_CMD} ${STAGEDIR}${PYTHONPREFIX_SITELIBDIR}/_fastjet.so.0.0.0 + @${STRIP_CMD} ${STAGEDIR}${PYTHONPREFIX_SITELIBDIR}/_fastjet_swig.so.0.0.0 do-test: # python tests diff --git a/science/fastjet/distinfo b/science/fastjet/distinfo index c318c545d2f6..896e7e12357e 100644 --- a/science/fastjet/distinfo +++ b/science/fastjet/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1730346663 -SHA256 (fastjet-3.4.3.tar.gz) = cc175471bfab8656b8c6183a8e5e9ad05d5f7506e46f3212a9a8230905b8f6a3 -SIZE (fastjet-3.4.3.tar.gz) = 2984798 +TIMESTAMP = 1755888400 +SHA256 (fastjet-3.5.1.tar.gz) = 9a4154163e72041dee3fdde9cb24e814625e178091a8734a6ad5375e5371b423 +SIZE (fastjet-3.5.1.tar.gz) = 3069022 diff --git a/science/fastjet/pkg-plist b/science/fastjet/pkg-plist index 35b8c8caf328..5f83019a7641 100644 --- a/science/fastjet/pkg-plist +++ b/science/fastjet/pkg-plist @@ -129,11 +129,12 @@ lib/libsiscone_spherical.so lib/libsiscone_spherical.so.0 lib/libsiscone_spherical.so.0.0.0 %%PYTHON%%%%PYTHON_SITELIBDIR%%/__pycache__/fastjet%%PYTHON_TAG%%.opt-1.pyc +%%PYTHON%%%%PYTHON_SITELIBDIR%%/__pycache__/fastjet%%PYTHON_TAG%%.opt-2.pyc %%PYTHON%%%%PYTHON_SITELIBDIR%%/__pycache__/fastjet%%PYTHON_TAG%%.pyc -%%PYTHON%%%%PYTHON_SITELIBDIR%%/_fastjet.a -%%PYTHON%%%%PYTHON_SITELIBDIR%%/_fastjet.so -%%PYTHON%%%%PYTHON_SITELIBDIR%%/_fastjet.so.0 -%%PYTHON%%%%PYTHON_SITELIBDIR%%/_fastjet.so.0.0.0 +%%PYTHON%%%%PYTHON_SITELIBDIR%%/_fastjet_swig.a +%%PYTHON%%%%PYTHON_SITELIBDIR%%/_fastjet_swig.so +%%PYTHON%%%%PYTHON_SITELIBDIR%%/_fastjet_swig.so.0 +%%PYTHON%%%%PYTHON_SITELIBDIR%%/_fastjet_swig.so.0.0.0 %%PYTHON%%%%PYTHON_SITELIBDIR%%/fastjet.py %%PYTHON%%%%DATADIR%%/pyinterface/FastJetPythonExtensions.hh %%PYTHON%%%%DATADIR%%/pyinterface/fastjet-doc.i diff --git a/science/gnudatalanguage/Makefile b/science/gnudatalanguage/Makefile index bcc3ee4ec241..fc27b0db4de8 100644 --- a/science/gnudatalanguage/Makefile +++ b/science/gnudatalanguage/Makefile @@ -1,6 +1,6 @@ PORTNAME= gnudatalanguage PORTVERSION= 1.1.1 -PORTREVISION= 1 +PORTREVISION= 2 DISTVERSIONPREFIX= v CATEGORIES= science lang MASTER_SITES= https://github.com/${PORTNAME}/gdl/releases/download/v${PORTVERSION}/ diff --git a/science/gramps/Makefile b/science/gramps/Makefile index 4074db4cc44f..f261cd0a1aa4 100644 --- a/science/gramps/Makefile +++ b/science/gramps/Makefile @@ -1,5 +1,5 @@ PORTNAME= gramps -DISTVERSION= 6.0.3 +DISTVERSION= 6.0.4 CATEGORIES= science gnome python MASTER_SITES= PYPI diff --git a/science/gramps/distinfo b/science/gramps/distinfo index 7f082b790a6b..30016e379016 100644 --- a/science/gramps/distinfo +++ b/science/gramps/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1750276417 -SHA256 (gramps-6.0.3.tar.gz) = 079fab79c330c2332e5cc5cd1ec9e953a2b76d9f103aa774b7850d01baf874ee -SIZE (gramps-6.0.3.tar.gz) = 21803163 +TIMESTAMP = 1754945114 +SHA256 (gramps-6.0.4.tar.gz) = ebabb1cfa8dc61859ee0e9c4ad0b54c94ccff2809dd1b0895a38a46b80382692 +SIZE (gramps-6.0.4.tar.gz) = 21963080 diff --git a/science/hypre/Makefile b/science/hypre/Makefile index d5df638850a3..a439de1d4f3c 100644 --- a/science/hypre/Makefile +++ b/science/hypre/Makefile @@ -1,6 +1,7 @@ PORTNAME= hypre DISTVERSIONPREFIX= v DISTVERSION= 2.33.0 +PORTREVISION= 1 CATEGORIES= science MAINTAINER= yuri@FreeBSD.org diff --git a/science/kalzium/distinfo b/science/kalzium/distinfo index 55a8ed08734d..dc9bdf4527dc 100644 --- a/science/kalzium/distinfo +++ b/science/kalzium/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1751381644 -SHA256 (KDE/release-service/25.04.3/kalzium-25.04.3.tar.xz) = d8d76ae3d123d93fe0ddf33992d7c85292ec5560b76a634f9bf2d731c2fccada -SIZE (KDE/release-service/25.04.3/kalzium-25.04.3.tar.xz) = 22660296 +TIMESTAMP = 1754646547 +SHA256 (KDE/release-service/25.08.0/kalzium-25.08.0.tar.xz) = 8765737e7baeb7fb0d0c16112ce11694ddb90a102e8e6b3e723dae9d595b8529 +SIZE (KDE/release-service/25.08.0/kalzium-25.08.0.tar.xz) = 22650880 diff --git a/science/kalzium/pkg-plist b/science/kalzium/pkg-plist index 6d96ce611615..08dc853471f9 100644 --- a/science/kalzium/pkg-plist +++ b/science/kalzium/pkg-plist @@ -10,6 +10,9 @@ include/libkdeedu/psetables.h include/libkdeedu/science_export.h include/libkdeedu/spectrum.h include/libkdeedu/spectrumparser.h +lib/libcompoundviewer.so +lib/libcompoundviewer.so.5 +lib/libcompoundviewer.so.5.0.0 lib/libscience.so lib/libscience.so.5 lib/libscience.so.5.0.0 @@ -348,6 +351,7 @@ share/icons/hicolor/scalable/apps/kalzium.svgz %%DATADIR%%/icons/hicolor/scalable/actions/statematter.svgz %%DATADIR%%/icons/hicolor/scalable/actions/timeline.svgz %%DATADIR%%/icons/hicolor/scalable/actions/tooltip.svgz +share/knsrcfiles/kalzium.knsrc share/libkdeedu/data/elements.xml share/libkdeedu/data/isotopes.xml share/libkdeedu/data/spectra.xml @@ -383,6 +387,7 @@ share/locale/hi/LC_MESSAGES/kalzium.mo share/locale/hne/LC_MESSAGES/kalzium.mo share/locale/hr/LC_MESSAGES/kalzium.mo share/locale/hu/LC_MESSAGES/kalzium.mo +share/locale/ia/LC_MESSAGES/kalzium.mo share/locale/is/LC_MESSAGES/kalzium.mo share/locale/it/LC_MESSAGES/kalzium.mo share/locale/ja/LC_MESSAGES/kalzium.mo @@ -424,6 +429,21 @@ share/locale/uk/LC_MESSAGES/kalzium.mo share/locale/xh/LC_MESSAGES/kalzium.mo share/locale/zh_CN/LC_MESSAGES/kalzium.mo share/locale/zh_TW/LC_MESSAGES/kalzium.mo +share/man/ca/man1/kalzium.1.gz +share/man/da/man1/kalzium.1.gz +share/man/de/man1/kalzium.1.gz +share/man/es/man1/kalzium.1.gz +share/man/et/man1/kalzium.1.gz +share/man/fr/man1/kalzium.1.gz +share/man/gl/man1/kalzium.1.gz +share/man/it/man1/kalzium.1.gz share/man/man1/kalzium.1.gz +share/man/nl/man1/kalzium.1.gz +share/man/pl/man1/kalzium.1.gz +share/man/pt/man1/kalzium.1.gz +share/man/pt_BR/man1/kalzium.1.gz +share/man/ru/man1/kalzium.1.gz +share/man/sv/man1/kalzium.1.gz +share/man/uk/man1/kalzium.1.gz share/metainfo/org.kde.kalzium.appdata.xml share/qlogging-categories6/kalzium.categories diff --git a/science/libcint/Makefile b/science/libcint/Makefile index af528fdf2ec6..030c5de31ee3 100644 --- a/science/libcint/Makefile +++ b/science/libcint/Makefile @@ -1,7 +1,6 @@ PORTNAME= libcint DISTVERSIONPREFIX= v -DISTVERSION= 6.1.2 -PORTREVISION= 2 +DISTVERSION= 6.1.3 CATEGORIES= science MAINTAINER= yuri@FreeBSD.org @@ -24,7 +23,7 @@ PLIST_FILES= include/cint.h \ include/cint_funcs.h \ lib/libcint.so \ lib/libcint.so.${PORTVERSION:R:R} \ - lib/libcint.so.6.1.1 # see https://github.com/sunqm/libcint/issues/106 + lib/libcint.so.${PORTVERSION} #lib/libcint.so.${PORTVERSION} post-patch: @@ -39,4 +38,6 @@ do-test: # needs science/py-pyscf, pending https://github.com/pyscf/pyscf/issues ${SETENV} ${MAKE_ENV} ${MAKE_CMD} ${MAKE_ARGS} ${ALL_TARGET} && \ ${SETENV} ${MAKE_ENV} ${MAKE_CMD} ${MAKE_ARGS} test +# tests as of 6.1.3: 100% tests passed, 0 tests failed out of 2 + .include <bsd.port.mk> diff --git a/science/libcint/distinfo b/science/libcint/distinfo index 947086b18216..c2d4cf4a3f83 100644 --- a/science/libcint/distinfo +++ b/science/libcint/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1710384136 -SHA256 (sunqm-libcint-v6.1.2_GH0.tar.gz) = 8287e1eaf2b8c8e19eb7a8ea92fd73898f0884023c503b84624610400adb25c4 -SIZE (sunqm-libcint-v6.1.2_GH0.tar.gz) = 50862041 +TIMESTAMP = 1755587717 +SHA256 (sunqm-libcint-v6.1.3_GH0.tar.gz) = e4d977d4aeb4d5b87639ea57a2d2f1d5c1001f3f94e480b08c297a6cbc186f27 +SIZE (sunqm-libcint-v6.1.3_GH0.tar.gz) = 50867546 diff --git a/science/libcint/files/patch-src_c2f.h b/science/libcint/files/patch-src_c2f.h deleted file mode 100644 index b7d3deccc865..000000000000 --- a/science/libcint/files/patch-src_c2f.h +++ /dev/null @@ -1,10 +0,0 @@ ---- src/c2f.h.orig 2018-03-21 00:24:56 UTC -+++ src/c2f.h -@@ -4,6 +4,7 @@ - */ - - #include "config.h" -+#include <sys/types.h> - - #define ALL_CINT_FORTRAN_(NAME) \ - int c##NAME##_sph_(double *out, int *shls, int *atm, int *natm, \ diff --git a/science/mbdyn/Makefile b/science/mbdyn/Makefile index c65f1560bb54..4ac211eda4e6 100644 --- a/science/mbdyn/Makefile +++ b/science/mbdyn/Makefile @@ -1,6 +1,6 @@ PORTNAME= mbdyn DISTVERSION= 1.7.3 -PORTREVISION= 18 +PORTREVISION= 19 CATEGORIES= science MASTER_SITES= https://www.mbdyn.org/userfiles/downloads/ diff --git a/science/mcpl/Makefile b/science/mcpl/Makefile index 7ee2ca520278..25c22bb8a36c 100644 --- a/science/mcpl/Makefile +++ b/science/mcpl/Makefile @@ -11,6 +11,9 @@ WWW= https://mctools.github.io/mcpl/ \ LICENSE= APACHE20 LICENSE_FILE= ${WRKSRC}/LICENSE +NOT_FOR_ARCHS= armv7 powerpc i386 +NOT_FOR_ARCHS_REASON= MCPL does not support 32 bit platforms + BROKEN_i386= compilation fails, see https://github.com/mctools/mcpl/issues/88 USES= cmake:testing diff --git a/science/meep/Makefile b/science/meep/Makefile index 1c26a64c010f..a2187234803b 100644 --- a/science/meep/Makefile +++ b/science/meep/Makefile @@ -1,7 +1,7 @@ PORTNAME= meep DISTVERSIONPREFIX= v DISTVERSION= 1.29.0 -PORTREVISION= 6 +PORTREVISION= 7 CATEGORIES= science cad MAINTAINER= yuri@FreeBSD.org diff --git a/science/molgif/Makefile b/science/molgif/Makefile index cec8591a420f..9998275f996b 100644 --- a/science/molgif/Makefile +++ b/science/molgif/Makefile @@ -1,6 +1,6 @@ PORTNAME= molgif DISTVERSION= g20180108 -PORTREVISION= 28 +PORTREVISION= 30 CATEGORIES= science MAINTAINER= yuri@FreeBSD.org diff --git a/science/ncrystal/Makefile b/science/ncrystal/Makefile index fb63deb58062..8738797874bd 100644 --- a/science/ncrystal/Makefile +++ b/science/ncrystal/Makefile @@ -1,6 +1,6 @@ PORTNAME= ncrystal DISTVERSIONPREFIX= v -DISTVERSION= 4.2.0 +DISTVERSION= 4.2.8 CATEGORIES= science # physics MAINTAINER= yuri@FreeBSD.org @@ -21,9 +21,6 @@ SHEBANG_FILES= tests/scripts/* CMAKE_TESTING_ON= NCRYSTAL_ENABLE_TESTING \ NCRYSTAL_ENABLE_CORE_TEST -post-install: # workaround for https://github.com/mctools/ncrystal/issues/150 - @${RM} ${STAGEDIR}${PREFIX}/*.sh - -# tests as of 4.1.4: 54% tests passed, 37 tests failed out of 80, see https://github.com/mctools/ncrystal/issues/231 +# tests as of 4.2.6: 51% tests passed, 43 tests failed out of 88 (only py_xx tests fail) .include <bsd.port.mk> diff --git a/science/ncrystal/distinfo b/science/ncrystal/distinfo index a9c11355be17..ebf4e8a8d01a 100644 --- a/science/ncrystal/distinfo +++ b/science/ncrystal/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1749700880 -SHA256 (mctools-ncrystal-v4.2.0_GH0.tar.gz) = bc01465f4e7db596ebba34df96ad744eea7cd1d2308fb2ff1ae532d0dbc50725 -SIZE (mctools-ncrystal-v4.2.0_GH0.tar.gz) = 2812384 +TIMESTAMP = 1754558330 +SHA256 (mctools-ncrystal-v4.2.8_GH0.tar.gz) = 499e355e8cb534954101241c5af1f3d4f729aa87f4d63734b05570033a5d6dbd +SIZE (mctools-ncrystal-v4.2.8_GH0.tar.gz) = 2822048 diff --git a/science/openmc/Makefile b/science/openmc/Makefile index 9481907cdec7..dd31d577e3d7 100644 --- a/science/openmc/Makefile +++ b/science/openmc/Makefile @@ -1,6 +1,7 @@ PORTNAME= openmc DISTVERSIONPREFIX= v DISTVERSION= 0.15.0 +PORTREVISION= 1 CATEGORIES= science MAINTAINER= yuri@FreeBSD.org @@ -12,7 +13,7 @@ WWW= https://openmc.org/ \ LICENSE= MIT LICENSE_FILE= ${WRKSRC}/LICENSE -BROKEN_FreeBSD_15= compilation fails with clang-19, see https://github.com/openmc-dev/openmc/issues/3183 +BROKEN= compilation fails with clang-19, see https://github.com/openmc-dev/openmc/issues/3183 BUILD_DEPENDS= xtensor>0:math/xtensor LIB_DEPENDS= libfmt.so:devel/libfmt \ diff --git a/science/openmodelica/Makefile b/science/openmodelica/Makefile index dafafc57c8da..fd76e7f0a190 100644 --- a/science/openmodelica/Makefile +++ b/science/openmodelica/Makefile @@ -1,7 +1,6 @@ PORTNAME= openmodelica DISTVERSIONPREFIX= v -DISTVERSION= 1.25.1 -PORTREVISION= 1 +DISTVERSION= 1.25.2 CATEGORIES= science cad java DIST_SUBDIR= ${PORTNAME}-${PORTVERSION} @@ -54,15 +53,15 @@ GH_PROJECT= OpenModelica SHEBANG_GLOB= *.sh *.in *.ac GH_TUPLE= \ - OpenModelica:OMOptim:f1036f43db18c5015da259771004cfb80e08a110:OpenModelica_OMOptim/OMOptim \ - OpenModelica:OMSimulator:46fa40f:OpenModelica_OMSimulator/OMSimulator \ + OpenModelica:OMOptim:d53288b:OpenModelica_OMOptim/OMOptim \ + OpenModelica:OMSimulator:e3a3aeb:OpenModelica_OMSimulator/OMSimulator \ OpenModelica:OMSimulator-3rdParty:5c10de1648d1134a577d9284b58580a72383d89f:OpenModelica_OMSimulator_3rdParty/OMSimulator/3rdParty \ OpenModelica:OMCompiler-3rdParty:520663f:OpenModelica_OMCompiler_3rdParty/OMCompiler/3rdParty \ OpenModelica:OMSens:093ad11:OpenModelica_OMSens/OMSens \ OpenModelica:OMSens_Qt:bab329a:OpenModelica_OMSens_Qt/OMSens_Qt \ OpenModelica:OpenModelica-common:08a01802db5ba5edb540383c46718b89ff229ef2:OpenModelica_OpenModelica_common/OMOptim/common \ OpenModelica:OpenModelica-common:08a01802db5ba5edb540383c46718b89ff229ef2:OpenModelica_OpenModelica_common/OMSens_Qt/common -GH_TUPLE+= OpenModelica:OMBootstrapping:91938f0acbdc6e9ba91114376e3640ca6147b579:bootstrapping/OMCompiler/Compiler/boot/bomc # downloaded by cmake +GH_TUPLE+= OpenModelica:OMBootstrapping:04d16f7461e5401321f0f72613daf466ae2f76be:bootstrapping/OMCompiler/Compiler/boot/bomc # downloaded by cmake # this should change make program everywhere, but it doesn't, # hence the patches in OMCompiler/Compiler/runtime/CMakeLists.txt, OMEdit/OMEditLIB/Simulation/SimulationOutputWidget.cpp diff --git a/science/openmodelica/distinfo b/science/openmodelica/distinfo index 66b481d27d53..56ac7fddde4b 100644 --- a/science/openmodelica/distinfo +++ b/science/openmodelica/distinfo @@ -1,19 +1,19 @@ -TIMESTAMP = 1750120788 -SHA256 (openmodelica-1.25.1/OpenModelica-OpenModelica-v1.25.1_GH0.tar.gz) = f7d819fd7b838bad5ddbbd9ee585e49053464db68c0b9a406b2f9fea400ac2e5 -SIZE (openmodelica-1.25.1/OpenModelica-OpenModelica-v1.25.1_GH0.tar.gz) = 148275827 -SHA256 (openmodelica-1.25.1/OpenModelica-OMOptim-f1036f43db18c5015da259771004cfb80e08a110_GH0.tar.gz) = 11189c8ab3fb9d22ed805271ef53b9698b0d41007a1708d7a77ef074a5b20447 -SIZE (openmodelica-1.25.1/OpenModelica-OMOptim-f1036f43db18c5015da259771004cfb80e08a110_GH0.tar.gz) = 4022842 -SHA256 (openmodelica-1.25.1/OpenModelica-OMSimulator-46fa40f_GH0.tar.gz) = eb5fbb88b2cf6a3556c43ee4c0b446fb26a70be06ddfb4031e50636dc1af1048 -SIZE (openmodelica-1.25.1/OpenModelica-OMSimulator-46fa40f_GH0.tar.gz) = 92370094 -SHA256 (openmodelica-1.25.1/OpenModelica-OMSimulator-3rdParty-5c10de1648d1134a577d9284b58580a72383d89f_GH0.tar.gz) = ea57e90ea76eca2657e8ddaa6c87301a16661200b3e8a00347a12bfdbb5f973d -SIZE (openmodelica-1.25.1/OpenModelica-OMSimulator-3rdParty-5c10de1648d1134a577d9284b58580a72383d89f_GH0.tar.gz) = 7637943 -SHA256 (openmodelica-1.25.1/OpenModelica-OMCompiler-3rdParty-520663f_GH0.tar.gz) = 37c82357fc1e862eb13d79cf1ff2d143f263502472db9bb2c350c0c551022954 -SIZE (openmodelica-1.25.1/OpenModelica-OMCompiler-3rdParty-520663f_GH0.tar.gz) = 50256095 -SHA256 (openmodelica-1.25.1/OpenModelica-OMSens-093ad11_GH0.tar.gz) = 335512c08f94902bb07e75278cea791370a551336272f7bebef8c707ef5e5e2b -SIZE (openmodelica-1.25.1/OpenModelica-OMSens-093ad11_GH0.tar.gz) = 8871049 -SHA256 (openmodelica-1.25.1/OpenModelica-OMSens_Qt-bab329a_GH0.tar.gz) = 2f2dcba4defd7f13e9fd5e0c26bb4951b9f1fcc7da64960a6ad1cee32a628efa -SIZE (openmodelica-1.25.1/OpenModelica-OMSens_Qt-bab329a_GH0.tar.gz) = 211270 -SHA256 (openmodelica-1.25.1/OpenModelica-OpenModelica-common-08a01802db5ba5edb540383c46718b89ff229ef2_GH0.tar.gz) = fdb5bb442da0375373ef221cf26195114bf149511c1c2be051caad6301c21c9a -SIZE (openmodelica-1.25.1/OpenModelica-OpenModelica-common-08a01802db5ba5edb540383c46718b89ff229ef2_GH0.tar.gz) = 36148 -SHA256 (openmodelica-1.25.1/OpenModelica-OMBootstrapping-91938f0acbdc6e9ba91114376e3640ca6147b579_GH0.tar.gz) = 1a0327dabedd09dab3aa872af194b6d4e79bacc45659ea3154076e7f1f54b2cc -SIZE (openmodelica-1.25.1/OpenModelica-OMBootstrapping-91938f0acbdc6e9ba91114376e3640ca6147b579_GH0.tar.gz) = 3328929 +TIMESTAMP = 1756357301 +SHA256 (openmodelica-1.25.2/OpenModelica-OpenModelica-v1.25.2_GH0.tar.gz) = a56f60074842f8b10c05d8ad323e89937b38ecbea0c9f062858f57d5ab8dbf7c +SIZE (openmodelica-1.25.2/OpenModelica-OpenModelica-v1.25.2_GH0.tar.gz) = 148277183 +SHA256 (openmodelica-1.25.2/OpenModelica-OMOptim-d53288b_GH0.tar.gz) = d5012951f43e90dce03d7866d221278ee11ddfbdac4db20fe43d93adbc3748e7 +SIZE (openmodelica-1.25.2/OpenModelica-OMOptim-d53288b_GH0.tar.gz) = 4024177 +SHA256 (openmodelica-1.25.2/OpenModelica-OMSimulator-e3a3aeb_GH0.tar.gz) = 6192d933c258950fb0171f5d0ddac0353632d17ee99f6974ba53dd654f547e49 +SIZE (openmodelica-1.25.2/OpenModelica-OMSimulator-e3a3aeb_GH0.tar.gz) = 95557541 +SHA256 (openmodelica-1.25.2/OpenModelica-OMSimulator-3rdParty-5c10de1648d1134a577d9284b58580a72383d89f_GH0.tar.gz) = ea57e90ea76eca2657e8ddaa6c87301a16661200b3e8a00347a12bfdbb5f973d +SIZE (openmodelica-1.25.2/OpenModelica-OMSimulator-3rdParty-5c10de1648d1134a577d9284b58580a72383d89f_GH0.tar.gz) = 7637943 +SHA256 (openmodelica-1.25.2/OpenModelica-OMCompiler-3rdParty-520663f_GH0.tar.gz) = 37c82357fc1e862eb13d79cf1ff2d143f263502472db9bb2c350c0c551022954 +SIZE (openmodelica-1.25.2/OpenModelica-OMCompiler-3rdParty-520663f_GH0.tar.gz) = 50256095 +SHA256 (openmodelica-1.25.2/OpenModelica-OMSens-093ad11_GH0.tar.gz) = 335512c08f94902bb07e75278cea791370a551336272f7bebef8c707ef5e5e2b +SIZE (openmodelica-1.25.2/OpenModelica-OMSens-093ad11_GH0.tar.gz) = 8871049 +SHA256 (openmodelica-1.25.2/OpenModelica-OMSens_Qt-bab329a_GH0.tar.gz) = 2f2dcba4defd7f13e9fd5e0c26bb4951b9f1fcc7da64960a6ad1cee32a628efa +SIZE (openmodelica-1.25.2/OpenModelica-OMSens_Qt-bab329a_GH0.tar.gz) = 211270 +SHA256 (openmodelica-1.25.2/OpenModelica-OpenModelica-common-08a01802db5ba5edb540383c46718b89ff229ef2_GH0.tar.gz) = fdb5bb442da0375373ef221cf26195114bf149511c1c2be051caad6301c21c9a +SIZE (openmodelica-1.25.2/OpenModelica-OpenModelica-common-08a01802db5ba5edb540383c46718b89ff229ef2_GH0.tar.gz) = 36148 +SHA256 (openmodelica-1.25.2/OpenModelica-OMBootstrapping-04d16f7461e5401321f0f72613daf466ae2f76be_GH0.tar.gz) = 9ac6d28be6a331dfb61a57b033f2bcf984448cd63bc1a4cd140d60c2f5c64a79 +SIZE (openmodelica-1.25.2/OpenModelica-OMBootstrapping-04d16f7461e5401321f0f72613daf466ae2f76be_GH0.tar.gz) = 3346859 diff --git a/science/openmodelica/pkg-plist b/science/openmodelica/pkg-plist index 2f3a85526399..9c08ba4f8e0a 100644 --- a/science/openmodelica/pkg-plist +++ b/science/openmodelica/pkg-plist @@ -778,12 +778,15 @@ share/OMSimulator/schema/fmi3/fmi3Type.xsd share/OMSimulator/schema/fmi3/fmi3Unit.xsd share/OMSimulator/schema/fmi3/fmi3Variable.xsd share/OMSimulator/schema/fmi3/fmi3VariableDependency.xsd +share/OMSimulator/schema/ssp/SSPTraceabilityCommon.xsd +share/OMSimulator/schema/ssp/SimulationResourceMetaData.xsd share/OMSimulator/schema/ssp/SystemStructureCommon.xsd share/OMSimulator/schema/ssp/SystemStructureDescription.xsd share/OMSimulator/schema/ssp/SystemStructureDescription11.xsd share/OMSimulator/schema/ssp/SystemStructureParameterMapping.xsd share/OMSimulator/schema/ssp/SystemStructureParameterValues.xsd share/OMSimulator/schema/ssp/SystemStructureSignalDictionary.xsd +share/OMSimulator/schema/ssp/xlink.xsd share/OMSimulator/scripts/OMSimulatorServer.py share/cmake/ZeroMQ/ZeroMQConfig.cmake share/cmake/ZeroMQ/ZeroMQConfigVersion.cmake diff --git a/science/opensph/Makefile b/science/opensph/Makefile index 84075c2486e7..8550bb4472b0 100644 --- a/science/opensph/Makefile +++ b/science/opensph/Makefile @@ -1,6 +1,6 @@ PORTNAME= OpenSPH DISTVERSION= 0.4.1 -PORTREVISION= 8 +PORTREVISION= 9 CATEGORIES= science MAINTAINER= yuri@FreeBSD.org diff --git a/science/packmol/Makefile b/science/packmol/Makefile index 627188fa12eb..8f1bef5e46ce 100644 --- a/science/packmol/Makefile +++ b/science/packmol/Makefile @@ -1,6 +1,6 @@ PORTNAME= packmol DISTVERSIONPREFIX= v -DISTVERSION= 21.0.4 +DISTVERSION= 21.1.0 CATEGORIES= science MAINTAINER= eduardo@FreeBSD.org diff --git a/science/packmol/distinfo b/science/packmol/distinfo index 1e7f2f2c9e84..a62a7e08f6a6 100644 --- a/science/packmol/distinfo +++ b/science/packmol/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1752317019 -SHA256 (m3g-packmol-v21.0.4_GH0.tar.gz) = ca2398a6f8f2a326f52cda8e45a8818ea430a1b195fd3801d017e1a18f38fde8 -SIZE (m3g-packmol-v21.0.4_GH0.tar.gz) = 630743 +TIMESTAMP = 1755694551 +SHA256 (m3g-packmol-v21.1.0_GH0.tar.gz) = bcb64849bd490c329018210cf91375871108004ac8bf3e8cf9463e42e551fe46 +SIZE (m3g-packmol-v21.1.0_GH0.tar.gz) = 634772 diff --git a/science/paje/Makefile b/science/paje/Makefile index 6c6a554a8b5b..0d73a91fe8bf 100644 --- a/science/paje/Makefile +++ b/science/paje/Makefile @@ -1,6 +1,6 @@ PORTNAME= paje PORTVERSION= 1.97 -PORTREVISION= 12 +PORTREVISION= 13 CATEGORIES= science gnustep MASTER_SITES= SF/${PORTNAME}/Releases DISTNAME= Paje_${PORTVERSION} diff --git a/science/paraview/Makefile b/science/paraview/Makefile index 4e69796ed499..e657e04d7f84 100644 --- a/science/paraview/Makefile +++ b/science/paraview/Makefile @@ -1,6 +1,6 @@ PORTNAME= paraview DISTVERSION= ${PARAVIEW_VER}.3 -PORTREVISION= 4 +PORTREVISION= 5 CATEGORIES= science graphics MASTER_SITES= http://www.paraview.org/files/v${PARAVIEW_VER}/ DISTNAME= ParaView-v${PORTVERSION} diff --git a/science/psi4/Makefile b/science/psi4/Makefile index 4670af321999..dcdbd6077751 100644 --- a/science/psi4/Makefile +++ b/science/psi4/Makefile @@ -1,7 +1,7 @@ PORTNAME= psi4 DISTVERSIONPREFIX= v DISTVERSION= 1.9.1 -PORTREVISION= 3 +PORTREVISION= 4 CATEGORIES= science # quantum-chemistry EXTRACT_ONLY= ${DISTNAME}${EXTRACT_SUFX} diff --git a/science/py-HofstadterTools/Makefile b/science/py-HofstadterTools/Makefile index fd8636f491cb..44bd350e5745 100644 --- a/science/py-HofstadterTools/Makefile +++ b/science/py-HofstadterTools/Makefile @@ -1,5 +1,6 @@ PORTNAME= HofstadterTools DISTVERSION= 1.0.4 +PORTREVISION= 1 CATEGORIES= science python # physics MASTER_SITES= PYPI PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-MDAnalysis/Makefile b/science/py-MDAnalysis/Makefile index c43d93a3447a..3df1c2089e7c 100644 --- a/science/py-MDAnalysis/Makefile +++ b/science/py-MDAnalysis/Makefile @@ -1,6 +1,6 @@ PORTNAME= MDAnalysis DISTVERSION= 2.7.0 -PORTREVISION= 1 +PORTREVISION= 2 CATEGORIES= science python MASTER_SITES= PYPI PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-MDAnalysisTests/Makefile b/science/py-MDAnalysisTests/Makefile index 87eb1f4ade49..4150fad1fa25 100644 --- a/science/py-MDAnalysisTests/Makefile +++ b/science/py-MDAnalysisTests/Makefile @@ -1,6 +1,6 @@ PORTNAME= MDAnalysisTests DISTVERSION= 2.7.0 -PORTREVISION= 1 +PORTREVISION= 2 CATEGORIES= science python MASTER_SITES= PYPI PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-OpenFermion-Dirac/Makefile b/science/py-OpenFermion-Dirac/Makefile index f2c3ee0a9746..290577d9a3fb 100644 --- a/science/py-OpenFermion-Dirac/Makefile +++ b/science/py-OpenFermion-Dirac/Makefile @@ -1,6 +1,6 @@ PORTNAME= OpenFermion-Dirac DISTVERSION= g20220812 -PORTREVISION= 2 +PORTREVISION= 3 CATEGORIES= science python # chemistry, quantum-computing PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-OpenFermion-PySCF/Makefile b/science/py-OpenFermion-PySCF/Makefile index f16589ecc951..8cc4e8dab201 100644 --- a/science/py-OpenFermion-PySCF/Makefile +++ b/science/py-OpenFermion-PySCF/Makefile @@ -1,7 +1,7 @@ PORTNAME= py-OpenFermion-PySCF DISTVERSIONPREFIX= v DISTVERSION= 0.5 -PORTREVISION= 2 +PORTREVISION= 3 CATEGORIES= science python # chemistry, quantum-computing PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-OpenFermion/Makefile b/science/py-OpenFermion/Makefile index 6505d132d2ad..7ba275fab7f0 100644 --- a/science/py-OpenFermion/Makefile +++ b/science/py-OpenFermion/Makefile @@ -1,6 +1,7 @@ PORTNAME= OpenFermion DISTVERSIONPREFIX= v DISTVERSION= 1.7.1 +PORTREVISION= 1 CATEGORIES= science python # quantum-computing PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-OpenMC/Makefile b/science/py-OpenMC/Makefile index 77f10b2454d9..54a52b7b7205 100644 --- a/science/py-OpenMC/Makefile +++ b/science/py-OpenMC/Makefile @@ -1,7 +1,7 @@ PORTNAME= OpenMC DISTVERSIONPREFIX= v DISTVERSION= 0.15.0 -PORTREVISION= 2 +PORTREVISION= 3 CATEGORIES= science PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-PyNE/Makefile b/science/py-PyNE/Makefile index 8fc222236634..ea9dd4c53a1e 100644 --- a/science/py-PyNE/Makefile +++ b/science/py-PyNE/Makefile @@ -1,6 +1,6 @@ PORTNAME= PyNE DISTVERSION= 0.7.8 -PORTREVISION= 3 +PORTREVISION= 4 CATEGORIES= science # physics MASTER_SITES= https://raw.githubusercontent.com/pyne/data/master/:decay \ https://raw.githubusercontent.com/pyne/data/master/:cram \ diff --git a/science/py-abipy/Makefile b/science/py-abipy/Makefile index b4c9c5f1ce34..06e725dae361 100644 --- a/science/py-abipy/Makefile +++ b/science/py-abipy/Makefile @@ -1,6 +1,6 @@ PORTNAME= abipy DISTVERSION= 0.9.8 -PORTREVISION= 2 +PORTREVISION= 3 CATEGORIES= science python PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-asap3/Makefile b/science/py-asap3/Makefile index bd7ad5f687d7..421b77a892db 100644 --- a/science/py-asap3/Makefile +++ b/science/py-asap3/Makefile @@ -1,6 +1,6 @@ PORTNAME= asap3 DISTVERSION= 3.12.8 -PORTREVISION= 3 +PORTREVISION= 4 CATEGORIES= science python # chemistry MASTER_SITES= PYPI PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-ase/Makefile b/science/py-ase/Makefile index 5ac43a3541ee..27c665165e36 100644 --- a/science/py-ase/Makefile +++ b/science/py-ase/Makefile @@ -1,6 +1,6 @@ PORTNAME= ase DISTVERSION= 3.23.0 -PORTREVISION= 1 +PORTREVISION= 2 CATEGORIES= science python # chemistry MASTER_SITES= PYPI PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-boutdata/Makefile b/science/py-boutdata/Makefile index 472e48f39589..ae4f47733575 100644 --- a/science/py-boutdata/Makefile +++ b/science/py-boutdata/Makefile @@ -1,6 +1,6 @@ PORTNAME= boutdata DISTVERSION= 0.1.10 -PORTREVISION= 3 +PORTREVISION= 4 CATEGORIES= science education MASTER_SITES= PYPI PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-boututils/Makefile b/science/py-boututils/Makefile index c6a3ec8e7c5b..c03168492951 100644 --- a/science/py-boututils/Makefile +++ b/science/py-boututils/Makefile @@ -1,6 +1,6 @@ PORTNAME= boututils DISTVERSION= 0.1.9 -PORTREVISION= 4 +PORTREVISION= 5 CATEGORIES= science education MASTER_SITES= PYPI PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-chainer-chemistry/Makefile b/science/py-chainer-chemistry/Makefile index fe6795f67cb8..43b43174b0e8 100644 --- a/science/py-chainer-chemistry/Makefile +++ b/science/py-chainer-chemistry/Makefile @@ -1,6 +1,6 @@ PORTNAME= chainer-chemistry DISTVERSION= 0.7.1 -PORTREVISION= 2 +PORTREVISION= 3 CATEGORIES= science biology # machine-learning MASTER_SITES= PYPI PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-chempy/Makefile b/science/py-chempy/Makefile index 1d24deab4e11..f8038dcc66d8 100644 --- a/science/py-chempy/Makefile +++ b/science/py-chempy/Makefile @@ -1,6 +1,6 @@ PORTNAME= chempy DISTVERSION= 0.9.0 -PORTREVISION= 2 +PORTREVISION= 3 CATEGORIES= science python # chemistry MASTER_SITES= PYPI PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-cirq-aqt/Makefile b/science/py-cirq-aqt/Makefile index 1092c6dc5212..e283bf48ecdf 100644 --- a/science/py-cirq-aqt/Makefile +++ b/science/py-cirq-aqt/Makefile @@ -1,6 +1,7 @@ PORTNAME= cirq-aqt DISTVERSIONPREFIX= v DISTVERSION= 1.5.0 +PORTREVISION= 1 CATEGORIES= science python # quantum-computing PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-cirq-core/Makefile b/science/py-cirq-core/Makefile index e44380d38e2e..61e40b03c471 100644 --- a/science/py-cirq-core/Makefile +++ b/science/py-cirq-core/Makefile @@ -1,6 +1,7 @@ PORTNAME= cirq-core DISTVERSIONPREFIX= v DISTVERSION= 1.5.0 +PORTREVISION= 1 CATEGORIES= science python # quantum-computing PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-cirq-ionq/Makefile b/science/py-cirq-ionq/Makefile index 44ea65f06987..ea3fc7ffc5c6 100644 --- a/science/py-cirq-ionq/Makefile +++ b/science/py-cirq-ionq/Makefile @@ -1,6 +1,7 @@ PORTNAME= cirq-ionq DISTVERSIONPREFIX= v DISTVERSION= 1.5.0 +PORTREVISION= 1 CATEGORIES= science python # quantum-computing PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-cirq-pasqal/Makefile b/science/py-cirq-pasqal/Makefile index 2c7c3405af84..c279a6440d3f 100644 --- a/science/py-cirq-pasqal/Makefile +++ b/science/py-cirq-pasqal/Makefile @@ -1,6 +1,7 @@ PORTNAME= cirq-pasqal DISTVERSIONPREFIX= v DISTVERSION= 1.5.0 +PORTREVISION= 1 CATEGORIES= science python # quantum-computing PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-cirq-rigetti/Makefile b/science/py-cirq-rigetti/Makefile index e63bae3bff48..9f32d20ceff5 100644 --- a/science/py-cirq-rigetti/Makefile +++ b/science/py-cirq-rigetti/Makefile @@ -1,6 +1,7 @@ PORTNAME= cirq-rigetti DISTVERSIONPREFIX= v DISTVERSION= 1.5.0 +PORTREVISION= 1 CATEGORIES= science python # quantum-computing PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-dwave-cloud-client/Makefile b/science/py-dwave-cloud-client/Makefile index 97095c32e14d..c9b36c967a07 100644 --- a/science/py-dwave-cloud-client/Makefile +++ b/science/py-dwave-cloud-client/Makefile @@ -1,6 +1,6 @@ PORTNAME= dwave-cloud-client DISTVERSION= 0.12.0 -PORTREVISION= 1 +PORTREVISION= 2 CATEGORIES= science python www # quantum-computing PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-dwave-greedy/Makefile b/science/py-dwave-greedy/Makefile index da45962c8a45..9aa61e5b3d74 100644 --- a/science/py-dwave-greedy/Makefile +++ b/science/py-dwave-greedy/Makefile @@ -1,6 +1,6 @@ PORTNAME= dwave-greedy DISTVERSION= 0.3.0 -PORTREVISION= 2 +PORTREVISION= 3 CATEGORIES= science python # quantum-computing PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-dwave-hybrid/Makefile b/science/py-dwave-hybrid/Makefile index 4d0b1cbdbe67..e56c2779f488 100644 --- a/science/py-dwave-hybrid/Makefile +++ b/science/py-dwave-hybrid/Makefile @@ -1,6 +1,6 @@ PORTNAME= dwave-hybrid DISTVERSION= 0.6.11 -PORTREVISION= 1 +PORTREVISION= 2 CATEGORIES= science python # quantum-computing PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-dwave-inspector/Makefile b/science/py-dwave-inspector/Makefile index bebfb624a90a..4fdbfa6b5b88 100644 --- a/science/py-dwave-inspector/Makefile +++ b/science/py-dwave-inspector/Makefile @@ -1,6 +1,6 @@ PORTNAME= dwave-inspector DISTVERSION= 0.5.1 -PORTREVISION= 1 +PORTREVISION= 2 CATEGORIES= science python # quantum-computing PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-dwave-neal/Makefile b/science/py-dwave-neal/Makefile index 7374bd2fd4cf..1f22837bcbb3 100644 --- a/science/py-dwave-neal/Makefile +++ b/science/py-dwave-neal/Makefile @@ -1,6 +1,6 @@ PORTNAME= dwave-neal DISTVERSION= 0.6.0 -PORTREVISION= 2 +PORTREVISION= 3 CATEGORIES= science python # quantum-computing MASTER_SITES= PYPI PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-dwave-networkx/Makefile b/science/py-dwave-networkx/Makefile index d58f9f11857b..d86d538ab3e1 100644 --- a/science/py-dwave-networkx/Makefile +++ b/science/py-dwave-networkx/Makefile @@ -1,6 +1,6 @@ PORTNAME= dwave-networkx DISTVERSION= 0.8.15 -PORTREVISION= 1 +PORTREVISION= 2 CATEGORIES= science python # quantum-computing PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} DISTNAME= ${PORTNAME:S/-/_/}-${DISTVERSION} diff --git a/science/py-dwave-ocean-sdk/Makefile b/science/py-dwave-ocean-sdk/Makefile index 285638c3a620..bf09ca76c0db 100644 --- a/science/py-dwave-ocean-sdk/Makefile +++ b/science/py-dwave-ocean-sdk/Makefile @@ -1,6 +1,6 @@ PORTNAME= dwave-ocean-sdk DISTVERSION= 6.9.0 -PORTREVISION= 1 +PORTREVISION= 2 CATEGORIES= science python # quantum-computing PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-dwave-samplers/Makefile b/science/py-dwave-samplers/Makefile index e7ec7a9d766c..b51248d1ef3a 100644 --- a/science/py-dwave-samplers/Makefile +++ b/science/py-dwave-samplers/Makefile @@ -1,6 +1,6 @@ PORTNAME= dwave-samplers DISTVERSION= 1.3.0 -PORTREVISION= 1 +PORTREVISION= 2 CATEGORIES= science python # quantum-computing PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-dwave-system/Makefile b/science/py-dwave-system/Makefile index 45b9e9b43d56..c9ce8f85f894 100644 --- a/science/py-dwave-system/Makefile +++ b/science/py-dwave-system/Makefile @@ -1,6 +1,6 @@ PORTNAME= dwave-system DISTVERSION= 1.25.0 -PORTREVISION= 1 +PORTREVISION= 2 CATEGORIES= science python # quantum-computing PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-dwave-tabu/Makefile b/science/py-dwave-tabu/Makefile index c9174437cfe8..fa6651f47ae6 100644 --- a/science/py-dwave-tabu/Makefile +++ b/science/py-dwave-tabu/Makefile @@ -1,6 +1,6 @@ PORTNAME= dwave-tabu DISTVERSION= 0.5.0 -PORTREVISION= 2 +PORTREVISION= 3 CATEGORIES= science python # quantum-computing MASTER_SITES= PYPI PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-dwavebinarycsp/Makefile b/science/py-dwavebinarycsp/Makefile index 67c4982371de..d32f01053748 100644 --- a/science/py-dwavebinarycsp/Makefile +++ b/science/py-dwavebinarycsp/Makefile @@ -1,6 +1,6 @@ PORTNAME= dwavebinarycsp DISTVERSION= 0.3.0 -PORTREVISION= 1 +PORTREVISION= 2 CATEGORIES= science python # quantum-computing PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-earthpy/Makefile b/science/py-earthpy/Makefile index 25b1bd5d131a..8717fb174349 100644 --- a/science/py-earthpy/Makefile +++ b/science/py-earthpy/Makefile @@ -1,6 +1,6 @@ PORTNAME= earthpy PORTVERSION= 0.9.4 -PORTREVISION= 4 +PORTREVISION= 5 CATEGORIES= science geography python MASTER_SITES= PYPI PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-eccodes/Makefile b/science/py-eccodes/Makefile index 5f7093dce593..044eb813edc2 100644 --- a/science/py-eccodes/Makefile +++ b/science/py-eccodes/Makefile @@ -1,5 +1,5 @@ PORTNAME= eccodes -PORTVERSION= 2.42.0 +PORTVERSION= 2.43.0 CATEGORIES= science python MASTER_SITES= PYPI PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-eccodes/distinfo b/science/py-eccodes/distinfo index 21954c2072d6..e37fc89abc25 100644 --- a/science/py-eccodes/distinfo +++ b/science/py-eccodes/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1750954222 -SHA256 (eccodes-2.42.0.tar.gz) = 0abb2bc6c6f4e83749c4e9c313d5428c62b15dc6c5b47d2807943e3a5ffd5291 -SIZE (eccodes-2.42.0.tar.gz) = 2268756 +TIMESTAMP = 1753796092 +SHA256 (eccodes-2.43.0.tar.gz) = b99c41aaa64b20291452297a3d513e0b08cc96bcedfe364d8f58348159c48faa +SIZE (eccodes-2.43.0.tar.gz) = 2269307 diff --git a/science/py-eccodes/files/patch-setup.py b/science/py-eccodes/files/patch-setup.py new file mode 100644 index 000000000000..8a15aeac70e2 --- /dev/null +++ b/science/py-eccodes/files/patch-setup.py @@ -0,0 +1,10 @@ +--- setup.py.orig 2025-07-25 10:03:25 UTC ++++ setup.py +@@ -90,7 +90,6 @@ install_requires += [ + "attrs", + "cffi", + "findlibs", +- "eccodeslib;platform_system!='Windows'", + ] + + setuptools.setup( diff --git a/science/py-geometric/Makefile b/science/py-geometric/Makefile index 3dc948298d35..186198e8badf 100644 --- a/science/py-geometric/Makefile +++ b/science/py-geometric/Makefile @@ -1,6 +1,6 @@ PORTNAME= geometric DISTVERSION= 1.1 -PORTREVISION= 1 +PORTREVISION= 2 CATEGORIES= science python # chemistry MASTER_SITES= PYPI PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-gpaw/Makefile b/science/py-gpaw/Makefile index 7adec17183e7..d849a0d2021b 100644 --- a/science/py-gpaw/Makefile +++ b/science/py-gpaw/Makefile @@ -1,6 +1,6 @@ PORTNAME= gpaw DISTVERSION= 24.6.0 -PORTREVISION= 3 +PORTREVISION= 4 CATEGORIES= science python MASTER_SITES= PYPI PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-hiphive/Makefile b/science/py-hiphive/Makefile index def7bb28a62c..f81c2e5085a0 100644 --- a/science/py-hiphive/Makefile +++ b/science/py-hiphive/Makefile @@ -1,6 +1,6 @@ PORTNAME= hiphive DISTVERSION= 1.2 -PORTREVISION= 1 +PORTREVISION= 2 CATEGORIES= science python MASTER_SITES= PYPI PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-icet/Makefile b/science/py-icet/Makefile index 44a8eb096d13..b5a2b9177d5c 100644 --- a/science/py-icet/Makefile +++ b/science/py-icet/Makefile @@ -1,5 +1,6 @@ PORTNAME= icet DISTVERSION= 3.0 +PORTREVISION= 1 CATEGORIES= science # chemistry, physics #MASTER_SITES= PYPI # no tests PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-inequality/Makefile b/science/py-inequality/Makefile index 76fde967a827..cc8f4eea51b7 100644 --- a/science/py-inequality/Makefile +++ b/science/py-inequality/Makefile @@ -1,5 +1,6 @@ PORTNAME= inequality PORTVERSION= 1.1.1 +PORTREVISION= 1 CATEGORIES= science python MASTER_SITES= PYPI PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-kliff/Makefile b/science/py-kliff/Makefile index c5a5995637ee..b346f87c3fbe 100644 --- a/science/py-kliff/Makefile +++ b/science/py-kliff/Makefile @@ -1,5 +1,6 @@ PORTNAME= kliff DISTVERSION= 0.4.4 +PORTREVISION= 1 CATEGORIES= science python # chemistry MASTER_SITES= PYPI PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-kpLib/Makefile b/science/py-kpLib/Makefile index bc5206c29439..5cb720714515 100644 --- a/science/py-kpLib/Makefile +++ b/science/py-kpLib/Makefile @@ -1,6 +1,6 @@ PORTNAME= kpLib DISTVERSION= 1.1.1 -PORTREVISION= 2 +PORTREVISION= 3 CATEGORIES= science python MASTER_SITES= PYPI PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-lifelines/Makefile b/science/py-lifelines/Makefile index 57a070d0c9be..7e2307e559b6 100644 --- a/science/py-lifelines/Makefile +++ b/science/py-lifelines/Makefile @@ -1,6 +1,6 @@ PORTNAME= lifelines DISTVERSION= 0.19.5 -PORTREVISION= 3 +PORTREVISION= 4 CATEGORIES= science python MASTER_SITES= PYPI PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-mp-api/Makefile b/science/py-mp-api/Makefile index fb894efd1196..681bea4d9bc1 100644 --- a/science/py-mp-api/Makefile +++ b/science/py-mp-api/Makefile @@ -1,5 +1,6 @@ PORTNAME= mp-api DISTVERSION= 0.34.0 +PORTREVISION= 1 CATEGORIES= science python MASTER_SITES= PYPI PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-mpcontribs-client/Makefile b/science/py-mpcontribs-client/Makefile index 98a049cfe2b2..50a04843eab8 100644 --- a/science/py-mpcontribs-client/Makefile +++ b/science/py-mpcontribs-client/Makefile @@ -1,6 +1,6 @@ PORTNAME= mpcontribs-client DISTVERSION= 5.10.1 -PORTREVISION= 1 +PORTREVISION= 2 CATEGORIES= science python MASTER_SITES= PYPI PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-mplhep/Makefile b/science/py-mplhep/Makefile index 27fc7bf6b658..d1b5c9b1af24 100644 --- a/science/py-mplhep/Makefile +++ b/science/py-mplhep/Makefile @@ -1,5 +1,6 @@ PORTNAME= mplhep DISTVERSION= 0.3.59 +PORTREVISION= 1 CATEGORIES= science python MASTER_SITES= PYPI PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-ncrystal/Makefile b/science/py-ncrystal/Makefile index 16b71cb75d5e..c6a90d0c973f 100644 --- a/science/py-ncrystal/Makefile +++ b/science/py-ncrystal/Makefile @@ -1,6 +1,6 @@ PORTNAME= ncrystal DISTVERSIONPREFIX= v -DISTVERSION= 4.2.0 +DISTVERSION= 4.2.8 CATEGORIES= science # physics PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} @@ -32,7 +32,7 @@ post-install: # strip binary #@${STRIP_CMD} ${STAGEDIR}${PYTHONPREFIX_SITELIBDIR}/NCrystal/ncrystal_pyinst_data/lib/libNCrystal.so -do-test: # the third test fails for an unknown reason +do-test: @cd ${TEST_WRKSRC} && \ ${SETENV} ${TEST_ENV} ${PYTHON_CMD} -m NCrystal.test all diff --git a/science/py-ncrystal/distinfo b/science/py-ncrystal/distinfo index a23e154ff514..335765086002 100644 --- a/science/py-ncrystal/distinfo +++ b/science/py-ncrystal/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1749705869 -SHA256 (mctools-ncrystal-v4.2.0_GH0.tar.gz) = bc01465f4e7db596ebba34df96ad744eea7cd1d2308fb2ff1ae532d0dbc50725 -SIZE (mctools-ncrystal-v4.2.0_GH0.tar.gz) = 2812384 +TIMESTAMP = 1754559207 +SHA256 (mctools-ncrystal-v4.2.8_GH0.tar.gz) = 499e355e8cb534954101241c5af1f3d4f729aa87f4d63734b05570033a5d6dbd +SIZE (mctools-ncrystal-v4.2.8_GH0.tar.gz) = 2822048 diff --git a/science/py-obspy/Makefile b/science/py-obspy/Makefile index b0a3b8b4c973..49e98776b6f4 100644 --- a/science/py-obspy/Makefile +++ b/science/py-obspy/Makefile @@ -1,6 +1,6 @@ PORTNAME= obspy PORTVERSION= 1.4.2 -PORTREVISION= 1 +PORTREVISION= 2 CATEGORIES= science python MASTER_SITES= PYPI PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-openpiv/Makefile b/science/py-openpiv/Makefile index 66e447b465d5..4243feff9291 100644 --- a/science/py-openpiv/Makefile +++ b/science/py-openpiv/Makefile @@ -1,6 +1,6 @@ PORTNAME= openpiv PORTVERSION= 0.23.8 -PORTREVISION= 3 +PORTREVISION= 4 DISTVERSIONPREFIX= v CATEGORIES= science python PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-optking/Makefile b/science/py-optking/Makefile index d1ab10707dfa..8c71b977a3be 100644 --- a/science/py-optking/Makefile +++ b/science/py-optking/Makefile @@ -1,6 +1,6 @@ PORTNAME= optking DISTVERSION= 0.3.0 -PORTREVISION= 1 +PORTREVISION= 2 CATEGORIES= science python # chemistry PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-penaltymodel/Makefile b/science/py-penaltymodel/Makefile index 09203698bbcf..08b126f5fb7d 100644 --- a/science/py-penaltymodel/Makefile +++ b/science/py-penaltymodel/Makefile @@ -1,6 +1,6 @@ PORTNAME= penaltymodel DISTVERSION= 1.1.0 -PORTREVISION= 1 +PORTREVISION= 2 CATEGORIES= science python # quantum-computing PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-phono3py/Makefile b/science/py-phono3py/Makefile index 44d7932674ed..31ebec85b93d 100644 --- a/science/py-phono3py/Makefile +++ b/science/py-phono3py/Makefile @@ -1,6 +1,6 @@ PORTNAME= phono3py DISTVERSION= 3.9.0 -PORTREVISION= 1 +PORTREVISION= 2 CATEGORIES= science python MASTER_SITES= PYPI PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-phonopy/Makefile b/science/py-phonopy/Makefile index b298e416ecf5..3ec6ed90d710 100644 --- a/science/py-phonopy/Makefile +++ b/science/py-phonopy/Makefile @@ -1,5 +1,6 @@ PORTNAME= phonopy DISTVERSION= 2.42.0 +PORTREVISION= 1 CATEGORIES= science python MASTER_SITES= PYPI PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-pygmo2/Makefile b/science/py-pygmo2/Makefile index a7ed3634ffd4..869cc90d53f7 100644 --- a/science/py-pygmo2/Makefile +++ b/science/py-pygmo2/Makefile @@ -1,7 +1,7 @@ PORTNAME= pygmo2 DISTVERSIONPREFIX= v DISTVERSION= 2.19.7 -PORTREVISION= 6 +PORTREVISION= 7 CATEGORIES= science graphics PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-pymatgen-analysis-alloys/Makefile b/science/py-pymatgen-analysis-alloys/Makefile index 88142b17b01f..3252f214eceb 100644 --- a/science/py-pymatgen-analysis-alloys/Makefile +++ b/science/py-pymatgen-analysis-alloys/Makefile @@ -1,5 +1,6 @@ PORTNAME= pymatgen-analysis-alloys DISTVERSION= 0.0.7 +PORTREVISION= 1 CATEGORIES= science python MASTER_SITES= PYPI PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-pymatgen/Makefile b/science/py-pymatgen/Makefile index dc428fc53ede..666ba10e005f 100644 --- a/science/py-pymatgen/Makefile +++ b/science/py-pymatgen/Makefile @@ -1,6 +1,7 @@ PORTNAME= pymatgen DISTVERSIONPREFIX= v DISTVERSION= 2025.6.14 +PORTREVISION= 1 CATEGORIES= science python #MASTER_SITES= PYPI # no tests PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-pyqubo/Makefile b/science/py-pyqubo/Makefile index 86582cb6a231..f7b37bace0fa 100644 --- a/science/py-pyqubo/Makefile +++ b/science/py-pyqubo/Makefile @@ -1,6 +1,6 @@ PORTNAME= pyqubo DISTVERSION= 1.4.0 -PORTREVISION= 2 +PORTREVISION= 3 CATEGORIES= science python # quantum-computing PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-pyteomics/Makefile b/science/py-pyteomics/Makefile index 6ef21f18727d..0de34c07af0e 100644 --- a/science/py-pyteomics/Makefile +++ b/science/py-pyteomics/Makefile @@ -1,6 +1,6 @@ PORTNAME= pyteomics PORTVERSION= 4.7.5 -PORTREVISION= 1 +PORTREVISION= 2 CATEGORIES= science python MASTER_SITES= PYPI PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-qcelemental/Makefile b/science/py-qcelemental/Makefile index 5547c73f62a2..b1a5efde166b 100644 --- a/science/py-qcelemental/Makefile +++ b/science/py-qcelemental/Makefile @@ -1,5 +1,6 @@ PORTNAME= qcelemental DISTVERSION= 0.28.0 +PORTREVISION= 1 CATEGORIES= science python MASTER_SITES= PYPI PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-qcengine/Makefile b/science/py-qcengine/Makefile index a868cf47203a..92e077639ffb 100644 --- a/science/py-qcengine/Makefile +++ b/science/py-qcengine/Makefile @@ -1,6 +1,6 @@ PORTNAME= qcengine DISTVERSION= 0.30.0 -PORTREVISION= 2 +PORTREVISION= 3 CATEGORIES= science python # chemistry MASTER_SITES= PYPI PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-qiskit/Makefile b/science/py-qiskit/Makefile index c55d7b2e49e3..98898e931d59 100644 --- a/science/py-qiskit/Makefile +++ b/science/py-qiskit/Makefile @@ -1,5 +1,6 @@ PORTNAME= qiskit DISTVERSION= 2.1.1 +PORTREVISION= 1 CATEGORIES= science python PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-scikit-fuzzy/Makefile b/science/py-scikit-fuzzy/Makefile index e6fcb0ff80c4..658380d01336 100644 --- a/science/py-scikit-fuzzy/Makefile +++ b/science/py-scikit-fuzzy/Makefile @@ -1,5 +1,6 @@ PORTNAME= scikit-fuzzy DISTVERSION= 0.5.0 +PORTREVISION= 1 CATEGORIES= science python MASTER_SITES= PYPI PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-scikit-sparse/Makefile b/science/py-scikit-sparse/Makefile index ecc38f90c432..e80c63af51fe 100644 --- a/science/py-scikit-sparse/Makefile +++ b/science/py-scikit-sparse/Makefile @@ -1,6 +1,7 @@ PORTNAME= scikit-sparse DISTVERSIONPREFIX= v DISTVERSION= 0.4.16 +PORTREVISION= 1 CATEGORIES= science python #MASTER_SITES= PYPI # missing files under tests/ PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-sdf/Makefile b/science/py-sdf/Makefile index a4827b68afe5..8e4670177f9d 100644 --- a/science/py-sdf/Makefile +++ b/science/py-sdf/Makefile @@ -1,6 +1,6 @@ PORTNAME= sdf PORTVERSION= 0.1 -PORTREVISION= 3 +PORTREVISION= 4 CATEGORIES= science cad python PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-segregation/Makefile b/science/py-segregation/Makefile index f145f800c94a..88bd0223be01 100644 --- a/science/py-segregation/Makefile +++ b/science/py-segregation/Makefile @@ -1,6 +1,6 @@ PORTNAME= segregation PORTVERSION= 2.5 -PORTREVISION= 1 +PORTREVISION= 2 CATEGORIES= science python MASTER_SITES= PYPI PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/py-xbout/Makefile b/science/py-xbout/Makefile index d1424ca01695..1afc7238febc 100644 --- a/science/py-xbout/Makefile +++ b/science/py-xbout/Makefile @@ -1,6 +1,6 @@ PORTNAME= xbout DISTVERSION= 0.3.5 -PORTREVISION= 3 +PORTREVISION= 4 CATEGORIES= science education MASTER_SITES= PYPI PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} diff --git a/science/qiskit-aer/Makefile b/science/qiskit-aer/Makefile index ef595842d8e7..9a818aa16f08 100644 --- a/science/qiskit-aer/Makefile +++ b/science/qiskit-aer/Makefile @@ -1,6 +1,6 @@ PORTNAME= qiskit-aer DISTVERSION= 0.16.0.1 -PORTREVISION= 1 +PORTREVISION= 2 CATEGORIES= science # quantum-computing MAINTAINER= yuri@FreeBSD.org diff --git a/science/qt6-quick3dphysics/distinfo b/science/qt6-quick3dphysics/distinfo index 03a1722c995d..8e99d6679edf 100644 --- a/science/qt6-quick3dphysics/distinfo +++ b/science/qt6-quick3dphysics/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1749162772 -SHA256 (KDE/Qt/6.9.1/qtquick3dphysics-everywhere-src-6.9.1.tar.xz) = 66e8365eb8c409a8426dec13a83203879f31845d555bf7632ce0728e8ddca24f -SIZE (KDE/Qt/6.9.1/qtquick3dphysics-everywhere-src-6.9.1.tar.xz) = 4683360 +TIMESTAMP = 1756197855 +SHA256 (KDE/Qt/6.9.2/qtquick3dphysics-everywhere-src-6.9.2.tar.xz) = 87fc6485638f52cd33dc1a755a11c78fd992e438fe77ef53e0ca57c63505cc8b +SIZE (KDE/Qt/6.9.2/qtquick3dphysics-everywhere-src-6.9.2.tar.xz) = 4668516 diff --git a/science/rdkit/Makefile b/science/rdkit/Makefile index d4caaecd8c66..dd2255f3a900 100644 --- a/science/rdkit/Makefile +++ b/science/rdkit/Makefile @@ -1,7 +1,7 @@ PORTNAME= rdkit DISTVERSIONPREFIX= Release_ DISTVERSION= 2025_03_1 -PORTREVISION= 1 +PORTREVISION= 2 CATEGORIES= science MASTER_SITES= LOCAL/yuri/:font # unstable, changing font file: https://fonts.google.com/download?family=Comic%20Neue&dummy=/:font DISTFILES= ComicNeue-Regular.ttf:font diff --git a/science/seacas/Makefile b/science/seacas/Makefile index dab6f638940e..21b0c9a3d190 100644 --- a/science/seacas/Makefile +++ b/science/seacas/Makefile @@ -1,6 +1,7 @@ PORTNAME= seacas DISTVERSIONPREFIX= v DISTVERSION= 2025-03-13 +PORTREVISION= 1 CATEGORIES= science MAINTAINER= yuri@FreeBSD.org diff --git a/science/siconos/Makefile b/science/siconos/Makefile index 463c424c080d..587760c82cc4 100644 --- a/science/siconos/Makefile +++ b/science/siconos/Makefile @@ -1,6 +1,6 @@ PORTNAME= siconos DISTVERSION= 4.5.0 -PORTREVISION= 2 +PORTREVISION= 3 CATEGORIES= science MAINTAINER= yuri@FreeBSD.org diff --git a/science/smoldyn/Makefile b/science/smoldyn/Makefile index 965707c3adac..55178cea9aca 100644 --- a/science/smoldyn/Makefile +++ b/science/smoldyn/Makefile @@ -1,5 +1,5 @@ PORTNAME= smoldyn -DISTVERSION= 2.74 +DISTVERSION= 2.75 CATEGORIES= science MASTER_SITES= https://www.smoldyn.org/ @@ -32,8 +32,8 @@ PYTHON_CMAKE_BOOL= OPTION_PYTHON PYTHON_USES= python PYTHON_CMAKE_ON= -DPython3_EXECUTABLE=${PYTHON_CMD} PYTHON_BUILD_DEPENDS= ${PY_SETUPTOOLS} -PYTHON_RUN_DEPENDS= ${PYTHON_PKGNAMEPREFIX}biosimulators-utils>0:biology/py-biosimulators-utils@${PY_FLAVOR} -PYTHON_BROKEN= pending biology/py-biosimulators-utils completion +#PYTHON_RUN_DEPENDS= ${PYTHON_PKGNAMEPREFIX}biosimulators-utils>0:biology/py-biosimulators-utils@${PY_FLAVOR} +PYTHON_BROKEN= some python dependencies aren't ported post-extract: # see https://github.com/ssandrews/Smoldyn/issues/127 @${CHMOD} +x ${WRKSRC}/scripts/run_pyscript.py.in diff --git a/science/smoldyn/distinfo b/science/smoldyn/distinfo index 61749de73a7f..5083a957430a 100644 --- a/science/smoldyn/distinfo +++ b/science/smoldyn/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1737604798 -SHA256 (smoldyn-2.74.tgz) = 1abae836ac515092be14e2058af58a25981d7872c3a002fbff67bde0f64fa28a -SIZE (smoldyn-2.74.tgz) = 34348669 +TIMESTAMP = 1755906394 +SHA256 (smoldyn-2.75.tgz) = f7116e207d6ba91d3f709b6839d8054a622383ac6e0c5f81108015d083a2a094 +SIZE (smoldyn-2.75.tgz) = 34008076 diff --git a/science/step/distinfo b/science/step/distinfo index d0003f376b70..b2a6ad4575c2 100644 --- a/science/step/distinfo +++ b/science/step/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1751381646 -SHA256 (KDE/release-service/25.04.3/step-25.04.3.tar.xz) = 0aa86e2dd0bebbd9da8b8b77d0da3cd924e25be7084accaf11850d51857fba3e -SIZE (KDE/release-service/25.04.3/step-25.04.3.tar.xz) = 987244 +TIMESTAMP = 1754646550 +SHA256 (KDE/release-service/25.08.0/step-25.08.0.tar.xz) = 994bab4d0750cfdeb3af1f92d6453ee173cd483e392ad170bf5250b23b4ddf3a +SIZE (KDE/release-service/25.08.0/step-25.08.0.tar.xz) = 1004072 diff --git a/science/step/pkg-plist b/science/step/pkg-plist index f0365a2c6bf1..4186212eb37b 100644 --- a/science/step/pkg-plist +++ b/science/step/pkg-plist @@ -133,6 +133,8 @@ share/locale/lt/LC_MESSAGES/step_example_files.mo share/locale/lt/LC_MESSAGES/step_objinfo_files.mo share/locale/lt/LC_MESSAGES/step_qt.qm share/locale/lv/LC_MESSAGES/step.mo +share/locale/lv/LC_MESSAGES/step_example_files.mo +share/locale/lv/LC_MESSAGES/step_objinfo_files.mo share/locale/lv/LC_MESSAGES/step_qt.qm share/locale/mai/LC_MESSAGES/step_qt.qm share/locale/ml/LC_MESSAGES/step.mo @@ -561,6 +563,23 @@ share/mime/packages/org.kde.step.xml %%DATADIR%%/examples/lt/solar.step %%DATADIR%%/examples/lt/springs.step %%DATADIR%%/examples/lt/wave.step +%%DATADIR%%/examples/lv/brownian.step +%%DATADIR%%/examples/lv/doublependulum.step +%%DATADIR%%/examples/lv/eightpendula.step +%%DATADIR%%/examples/lv/first.step +%%DATADIR%%/examples/lv/fourpendula.step +%%DATADIR%%/examples/lv/gas.step +%%DATADIR%%/examples/lv/graph.step +%%DATADIR%%/examples/lv/liquid.step +%%DATADIR%%/examples/lv/lissajous.step +%%DATADIR%%/examples/lv/motor.step +%%DATADIR%%/examples/lv/motor1.step +%%DATADIR%%/examples/lv/note.step +%%DATADIR%%/examples/lv/resonance.step +%%DATADIR%%/examples/lv/softbody.step +%%DATADIR%%/examples/lv/solar.step +%%DATADIR%%/examples/lv/springs.step +%%DATADIR%%/examples/lv/wave.step %%DATADIR%%/examples/ml/brownian.step %%DATADIR%%/examples/ml/doublependulum.step %%DATADIR%%/examples/ml/eightpendula.step @@ -1198,6 +1217,25 @@ share/mime/packages/org.kde.step.xml %%DATADIR%%/objinfo/l10n/lt/spring.html %%DATADIR%%/objinfo/l10n/lt/weightforce.html %%DATADIR%%/objinfo/l10n/lt/world.html +%%DATADIR%%/objinfo/l10n/lv/anchor.html +%%DATADIR%%/objinfo/l10n/lv/box.html +%%DATADIR%%/objinfo/l10n/lv/chargedparticle.html +%%DATADIR%%/objinfo/l10n/lv/coulombforce.html +%%DATADIR%%/objinfo/l10n/lv/disk.html +%%DATADIR%%/objinfo/l10n/lv/gas.html +%%DATADIR%%/objinfo/l10n/lv/gasljforce.html +%%DATADIR%%/objinfo/l10n/lv/gasparticle.html +%%DATADIR%%/objinfo/l10n/lv/gravitationforce.html +%%DATADIR%%/objinfo/l10n/lv/linearmotor.html +%%DATADIR%%/objinfo/l10n/lv/meter.html +%%DATADIR%%/objinfo/l10n/lv/note.html +%%DATADIR%%/objinfo/l10n/lv/particle.html +%%DATADIR%%/objinfo/l10n/lv/pin.html +%%DATADIR%%/objinfo/l10n/lv/polygon.html +%%DATADIR%%/objinfo/l10n/lv/softbody.html +%%DATADIR%%/objinfo/l10n/lv/spring.html +%%DATADIR%%/objinfo/l10n/lv/weightforce.html +%%DATADIR%%/objinfo/l10n/lv/world.html %%DATADIR%%/objinfo/l10n/ml/anchor.html %%DATADIR%%/objinfo/l10n/ml/box.html %%DATADIR%%/objinfo/l10n/ml/chargedparticle.html @@ -1555,6 +1593,11 @@ share/mime/packages/org.kde.step.xml %%DATADIR%%/tutorials/lt/tutorial3.step %%DATADIR%%/tutorials/lt/tutorial4.step %%DATADIR%%/tutorials/lt/tutorial5.step +%%DATADIR%%/tutorials/lv/tutorial1.step +%%DATADIR%%/tutorials/lv/tutorial2.step +%%DATADIR%%/tutorials/lv/tutorial3.step +%%DATADIR%%/tutorials/lv/tutorial4.step +%%DATADIR%%/tutorials/lv/tutorial5.step %%DATADIR%%/tutorials/ml/tutorial1.step %%DATADIR%%/tutorials/ml/tutorial2.step %%DATADIR%%/tutorials/ml/tutorial3.step diff --git a/science/tinker/Makefile b/science/tinker/Makefile index c5b9b72ff278..2406c4c31a27 100644 --- a/science/tinker/Makefile +++ b/science/tinker/Makefile @@ -1,5 +1,5 @@ PORTNAME= tinker -DISTVERSION= 8.11.3 +DISTVERSION= 25.3 PORTREVISION= 1 CATEGORIES= science MASTER_SITES= https://dasher.wustl.edu/tinker/downloads/ diff --git a/science/tinker/distinfo b/science/tinker/distinfo index 6c20209908c4..6ebb852d7522 100644 --- a/science/tinker/distinfo +++ b/science/tinker/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1719188902 -SHA256 (tinker-8.11.3.tar.gz) = 8dfbc9fb8f26742d91139187657e2c905744b0243538f81b75bc04cdc2606ff7 -SIZE (tinker-8.11.3.tar.gz) = 73256260 +TIMESTAMP = 1755934058 +SHA256 (tinker-25.3.tar.gz) = 84744d00e2936be23be6ed6acbbc251f07e016db53ead079a270280539a42145 +SIZE (tinker-25.3.tar.gz) = 80772560 diff --git a/science/tinker/pkg-plist b/science/tinker/pkg-plist index 286fc0abcadd..b0f9367ade44 100644 --- a/science/tinker/pkg-plist +++ b/science/tinker/pkg-plist @@ -64,6 +64,8 @@ bin/xyzint bin/xyzmol2 bin/xyzpdb %%DATADIR%%/params/0README +%%DATADIR%%/params/amber14sb.prm +%%DATADIR%%/params/amber19sb.prm %%DATADIR%%/params/amber94.prm %%DATADIR%%/params/amber96.prm %%DATADIR%%/params/amber98.prm @@ -82,7 +84,8 @@ bin/xyzpdb %%DATADIR%%/params/basic.prm %%DATADIR%%/params/charmm19.prm %%DATADIR%%/params/charmm22.prm -%%DATADIR%%/params/charmm22cmap.prm +%%DATADIR%%/params/charmm27.prm +%%DATADIR%%/params/charmm36.prm %%DATADIR%%/params/dang.prm %%DATADIR%%/params/hippo19.prm %%DATADIR%%/params/hoch.prm @@ -90,8 +93,9 @@ bin/xyzpdb %%DATADIR%%/params/mm2.prm %%DATADIR%%/params/mm3.prm %%DATADIR%%/params/mm3pro.prm -%%DATADIR%%/params/mmff.prm -%%DATADIR%%/params/oplsaa.prm +%%DATADIR%%/params/mmff94.prm +%%DATADIR%%/params/mmff94s.prm +%%DATADIR%%/params/oplsaa08.prm %%DATADIR%%/params/oplsaal.prm %%DATADIR%%/params/oplsua.prm %%DATADIR%%/params/smoothaa.prm @@ -206,6 +210,10 @@ bin/xyzpdb %%DATADIR%%/test/polyala.key %%DATADIR%%/test/polyala.log %%DATADIR%%/test/polyala.run +%%DATADIR%%/test/pyridine.dat +%%DATADIR%%/test/pyridine.log +%%DATADIR%%/test/pyridine.run +%%DATADIR%%/test/pyridine.xyz %%DATADIR%%/test/salt.cell %%DATADIR%%/test/salt.key %%DATADIR%%/test/salt.log diff --git a/science/trilinos/Makefile b/science/trilinos/Makefile index 6c5576de4913..d2c8f9e9253c 100644 --- a/science/trilinos/Makefile +++ b/science/trilinos/Makefile @@ -1,6 +1,7 @@ PORTNAME= trilinos DISTVERSIONPREFIX= trilinos-release- DISTVERSION= 16-1-0 +PORTREVISION= 1 CATEGORIES= science # physics MAINTAINER= yuri@FreeBSD.org diff --git a/science/ttk/Makefile b/science/ttk/Makefile index 825079819c86..1b1d123f5933 100644 --- a/science/ttk/Makefile +++ b/science/ttk/Makefile @@ -1,5 +1,6 @@ PORTNAME= ttk DISTVERSION= 1.3.0 +PORTREVISION= 1 CATEGORIES= science MAINTAINER= yuri@FreeBSD.org diff --git a/science/v_sim/Makefile b/science/v_sim/Makefile index 68f706f4fb08..5108a9903564 100644 --- a/science/v_sim/Makefile +++ b/science/v_sim/Makefile @@ -1,6 +1,6 @@ PORTNAME= v_sim DISTVERSION= 3.8.0 -PORTREVISION= 13 +PORTREVISION= 14 CATEGORIES= science MAINTAINER= thierry@FreeBSD.org diff --git a/science/vipster/Makefile b/science/vipster/Makefile index e0b096c3b3ea..18acb86d904d 100644 --- a/science/vipster/Makefile +++ b/science/vipster/Makefile @@ -1,6 +1,7 @@ PORTNAME= vipster DISTVERSIONPREFIX= v DISTVERSION= 1.19.1b-109 +PORTREVISION= 1 DISTVERSIONSUFFIX= -gfb4a6ed CATEGORIES= science diff --git a/science/votca/Makefile b/science/votca/Makefile index f12745e528a9..03ee6bcbd1a4 100644 --- a/science/votca/Makefile +++ b/science/votca/Makefile @@ -1,7 +1,7 @@ PORTNAME= votca DISTVERSIONPREFIX= v DISTVERSION= 2025 -PORTREVISION= 2 +PORTREVISION= 3 CATEGORIES= science MAINTAINER= yuri@FreeBSD.org diff --git a/science/wwplot/Makefile b/science/wwplot/Makefile index bfab3e211939..ab33bcd5f63e 100644 --- a/science/wwplot/Makefile +++ b/science/wwplot/Makefile @@ -1,6 +1,7 @@ PORTNAME= wwplot DISTVERSIONPREFIX= v DISTVERSION= 1.0.0 +PORTREVISION= 1 CATEGORIES= science MAINTAINER= yuri@FreeBSD.org |