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-rw-r--r--science/agrum/Makefile1
-rw-r--r--science/atompaw/Makefile3
-rw-r--r--science/atompaw/files/patch-src_input__dataset__mod.F9011
-rw-r--r--science/berkeleygw/Makefile2
-rw-r--r--science/bout++-merging-filaments/Makefile2
-rw-r--r--science/bout++/Makefile2
-rw-r--r--science/cantera/Makefile2
-rw-r--r--science/cdo/Makefile5
-rw-r--r--science/cdo/distinfo6
-rw-r--r--science/cdo/files/patch-powerpc6442
-rw-r--r--science/code_saturne/Makefile2
-rw-r--r--science/csvtk/Makefile2
-rw-r--r--science/gnudatalanguage/Makefile2
-rw-r--r--science/kim-api/Makefile6
-rw-r--r--science/kim-api/distinfo6
-rw-r--r--science/kim-api/pkg-plist3
-rw-r--r--science/meep/Makefile2
-rw-r--r--science/molgif/Makefile2
-rw-r--r--science/paraview/Makefile2
-rw-r--r--science/psi4/Makefile2
-rw-r--r--science/py-HofstadterTools/Makefile1
-rw-r--r--science/py-MDAnalysis/Makefile2
-rw-r--r--science/py-MDAnalysisTests/Makefile2
-rw-r--r--science/py-OpenFermion-Dirac/Makefile2
-rw-r--r--science/py-OpenFermion-PySCF/Makefile2
-rw-r--r--science/py-OpenFermion/Makefile1
-rw-r--r--science/py-OpenMC/Makefile2
-rw-r--r--science/py-PyNE/Makefile2
-rw-r--r--science/py-abipy/Makefile2
-rw-r--r--science/py-asap3/Makefile2
-rw-r--r--science/py-ase/Makefile12
-rw-r--r--science/py-ase/distinfo6
-rw-r--r--science/py-ase/files/patch-pyproject.toml11
-rw-r--r--science/py-boutdata/Makefile2
-rw-r--r--science/py-boututils/Makefile2
-rw-r--r--science/py-chainer-chemistry/Makefile2
-rw-r--r--science/py-chempy/Makefile2
-rw-r--r--science/py-cirq-aqt/Makefile1
-rw-r--r--science/py-cirq-core/Makefile1
-rw-r--r--science/py-cirq-ionq/Makefile1
-rw-r--r--science/py-cirq-pasqal/Makefile1
-rw-r--r--science/py-cirq-rigetti/Makefile1
-rw-r--r--science/py-dwave-cloud-client/Makefile2
-rw-r--r--science/py-dwave-greedy/Makefile2
-rw-r--r--science/py-dwave-hybrid/Makefile2
-rw-r--r--science/py-dwave-inspector/Makefile2
-rw-r--r--science/py-dwave-neal/Makefile2
-rw-r--r--science/py-dwave-networkx/Makefile2
-rw-r--r--science/py-dwave-ocean-sdk/Makefile2
-rw-r--r--science/py-dwave-samplers/Makefile2
-rw-r--r--science/py-dwave-system/Makefile2
-rw-r--r--science/py-dwave-tabu/Makefile2
-rw-r--r--science/py-dwavebinarycsp/Makefile2
-rw-r--r--science/py-earthpy/Makefile2
-rw-r--r--science/py-geometric/Makefile2
-rw-r--r--science/py-gpaw/Makefile2
-rw-r--r--science/py-hiphive/Makefile2
-rw-r--r--science/py-icet/Makefile1
-rw-r--r--science/py-inequality/Makefile1
-rw-r--r--science/py-kimpy/Makefile7
-rw-r--r--science/py-kimpy/distinfo6
-rw-r--r--science/py-kliff/Makefile1
-rw-r--r--science/py-kpLib/Makefile2
-rw-r--r--science/py-lifelines/Makefile2
-rw-r--r--science/py-mp-api/Makefile1
-rw-r--r--science/py-mpcontribs-client/Makefile2
-rw-r--r--science/py-mplhep/Makefile1
-rw-r--r--science/py-obspy/Makefile2
-rw-r--r--science/py-openpiv/Makefile2
-rw-r--r--science/py-optking/Makefile2
-rw-r--r--science/py-penaltymodel/Makefile2
-rw-r--r--science/py-phono3py/Makefile2
-rw-r--r--science/py-phonopy/Makefile1
-rw-r--r--science/py-pygmo2/Makefile2
-rw-r--r--science/py-pymatgen-analysis-alloys/Makefile1
-rw-r--r--science/py-pymatgen/Makefile1
-rw-r--r--science/py-pyqubo/Makefile2
-rw-r--r--science/py-pyteomics/Makefile2
-rw-r--r--science/py-qcelemental/Makefile1
-rw-r--r--science/py-qcengine/Makefile2
-rw-r--r--science/py-qiskit/Makefile1
-rw-r--r--science/py-scikit-fuzzy/Makefile1
-rw-r--r--science/py-sdf/Makefile2
-rw-r--r--science/py-segregation/Makefile2
-rw-r--r--science/py-xbout/Makefile2
-rw-r--r--science/rdkit/Makefile2
-rw-r--r--science/ttk/Makefile1
-rw-r--r--science/v_sim/Makefile2
-rw-r--r--science/votca/Makefile2
-rw-r--r--science/wwplot/Makefile1
90 files changed, 153 insertions, 104 deletions
diff --git a/science/agrum/Makefile b/science/agrum/Makefile
index ff6dce0acfc3..e65dbffd8d4e 100644
--- a/science/agrum/Makefile
+++ b/science/agrum/Makefile
@@ -1,5 +1,6 @@
PORTNAME= agrum
DISTVERSION= 2.2.0
+PORTREVISION= 1
CATEGORIES= science math
MAINTAINER= yuri@FreeBSD.org
diff --git a/science/atompaw/Makefile b/science/atompaw/Makefile
index 61ccc526fadb..5e23ebdb9006 100644
--- a/science/atompaw/Makefile
+++ b/science/atompaw/Makefile
@@ -1,6 +1,6 @@
PORTNAME= atompaw
DISTVERSION= 4.2.0.3
-PORTREVISION= 2
+PORTREVISION= 3
CATEGORIES= science
MASTER_SITES= http://users.wfu.edu/natalie/papers/pwpaw/
@@ -16,6 +16,7 @@ LIB_DEPENDS= liblapack.so:math/lapack \
USES= fortran gmake libtool
GNU_CONFIGURE= yes
+CONFIGURE_ARGS= --with-linalg-prefix=${LOCALBASE}
OPTIONS_DEFINE= DOCS LIBXC
OPTIONS_DEFAULT= LIBXC
diff --git a/science/atompaw/files/patch-src_input__dataset__mod.F90 b/science/atompaw/files/patch-src_input__dataset__mod.F90
new file mode 100644
index 000000000000..cca7d9e3d6ae
--- /dev/null
+++ b/science/atompaw/files/patch-src_input__dataset__mod.F90
@@ -0,0 +1,11 @@
+--- src/input_dataset_mod.F90.orig 2023-06-02 20:37:00 UTC
++++ src/input_dataset_mod.F90
+@@ -2097,7 +2097,7 @@ END IF
+ INTEGER :: input_unit,echo_unit
+ INTEGER :: i_all,i_dx,i_xmin,i_zmesh,i_range
+ LOGICAL :: has_to_echo
+- CHARACTER(200) :: inputline
++ CHARACTER(256) :: inputline
+ TYPE(input_dataset_t),POINTER :: dataset
+
+ !------------------------------------------------------------------
diff --git a/science/berkeleygw/Makefile b/science/berkeleygw/Makefile
index 36f76867eaaa..bc988171c441 100644
--- a/science/berkeleygw/Makefile
+++ b/science/berkeleygw/Makefile
@@ -18,7 +18,7 @@ BUILD_DEPENDS= bash:shells/bash
LIB_DEPENDS= libfftw3.so:math/fftw3
RUN_DEPENDS= bash:shells/bash
-USES= blaslapack:openblas gmake fortran python shebangfix
+USES= blaslapack:openblas gmake fortran:gfortran python shebangfix
SHEBANG_GLOB= *.sh *.py *awk
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 43b9accad186..2e49f217994d 100644
--- a/science/bout++/Makefile
+++ b/science/bout++/Makefile
@@ -1,7 +1,7 @@
PORTNAME= bout++
DISTVERSIONPREFIX= v
DISTVERSION= 5.1.1
-PORTREVISION= 3
+PORTREVISION= 4
CATEGORIES= science math # physics
MAINTAINER= yuri@FreeBSD.org
diff --git a/science/cantera/Makefile b/science/cantera/Makefile
index 61a965965fe2..aea50ad6e4a7 100644
--- a/science/cantera/Makefile
+++ b/science/cantera/Makefile
@@ -1,7 +1,7 @@
PORTNAME= cantera
DISTVERSIONPREFIX= v
DISTVERSION= 3.1.0
-PORTREVISION= 2
+PORTREVISION= 3
CATEGORIES= science # chemistry physics
MAINTAINER= yuri@FreeBSD.org
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/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/csvtk/Makefile b/science/csvtk/Makefile
index e4b2b99739a4..acaa471d2f00 100644
--- a/science/csvtk/Makefile
+++ b/science/csvtk/Makefile
@@ -1,7 +1,7 @@
PORTNAME= csvtk
DISTVERSIONPREFIX= v
DISTVERSION= 0.34.0
-PORTREVISION= 1
+PORTREVISION= 2
CATEGORIES= science
MAINTAINER= jwb@FreeBSD.org
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/kim-api/Makefile b/science/kim-api/Makefile
index bcfc3fe9f454..154452adc611 100644
--- a/science/kim-api/Makefile
+++ b/science/kim-api/Makefile
@@ -1,12 +1,12 @@
PORTNAME= kim-api
-DISTVERSION= 2.3.0
-PORTREVISION= 1
+DISTVERSION= 2.4.1
CATEGORIES= science
MASTER_SITES= https://s3.openkim.org/kim-api/
MAINTAINER= yuri@FreeBSD.org
COMMENT= Framework for reliable, reproducible, portable molecular simulations
-WWW= https://openkim.org/
+WWW= https://openkim.org/ \
+ https://github.com/openkim/kim-api
LICENSE= LGPL3
LICENSE_FILE= ${WRKSRC}/LICENSE.LGPL
diff --git a/science/kim-api/distinfo b/science/kim-api/distinfo
index 34ec678ecd72..aa9436bebfa7 100644
--- a/science/kim-api/distinfo
+++ b/science/kim-api/distinfo
@@ -1,3 +1,3 @@
-TIMESTAMP = 1647738438
-SHA256 (kim-api-2.3.0.txz) = 93673bb8fbc0625791f2ee67915d1672793366d10cabc63e373196862c14f991
-SIZE (kim-api-2.3.0.txz) = 357580
+TIMESTAMP = 1757122898
+SHA256 (kim-api-2.4.1.txz) = 225e3136d43e416a4424551e9e5f6d92cc6ecfe11389a1b6e97d6dcdfed83d44
+SIZE (kim-api-2.4.1.txz) = 364020
diff --git a/science/kim-api/pkg-plist b/science/kim-api/pkg-plist
index 544dee8e567d..8ad13559dacb 100644
--- a/science/kim-api/pkg-plist
+++ b/science/kim-api/pkg-plist
@@ -134,8 +134,9 @@ lib/kim-api/portable-models/ex_model_Ar_SLJ_MultiCutoff/libkim-api-portable-mode
lib/kim-api/simulator-models/Sim_LAMMPS_LJcut_AkersonElliott_Alchemy_PbAu/libkim-api-simulator-model.so
lib/libkim-api.so
lib/libkim-api.so.2
-lib/libkim-api.so.2.3.0
+lib/libkim-api.so.2.4.1
libdata/pkgconfig/libkim-api.pc
+libexec/kim-api/kim-api-base64-encode
libexec/kim-api/kim-api-collections-info
libexec/kim-api/kim-api-portable-model-info
libexec/kim-api/kim-api-shared-library-test
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 280dc2503615..9998275f996b 100644
--- a/science/molgif/Makefile
+++ b/science/molgif/Makefile
@@ -1,6 +1,6 @@
PORTNAME= molgif
DISTVERSION= g20180108
-PORTREVISION= 29
+PORTREVISION= 30
CATEGORIES= science
MAINTAINER= yuri@FreeBSD.org
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..f3e0a8056fdc 100644
--- a/science/py-ase/Makefile
+++ b/science/py-ase/Makefile
@@ -1,21 +1,21 @@
PORTNAME= ase
-DISTVERSION= 3.23.0
-PORTREVISION= 1
+DISTVERSION= 3.26.0
CATEGORIES= science python # chemistry
MASTER_SITES= PYPI
PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX}
MAINTAINER= yuri@FreeBSD.org
COMMENT= Atomic simulation environment
-WWW= https://wiki.fysik.dtu.dk/ase/
+WWW= https://ase-lib.org/ \
+ https://gitlab.com/ase/ase
LICENSE= LGPL21
LICENSE_FILE= ${WRKSRC}/COPYING.LESSER
RUN_DEPENDS= ${PYNUMPY} \
${PYTHON_PKGNAMEPREFIX}matplotlib>=3.1.0:math/py-matplotlib@${PY_FLAVOR} \
- ${PYTHON_PKGNAMEPREFIX}scipy>=1.1.0:science/py-scipy@${PY_FLAVOR} \
- nwchem:science/nwchem
+ ${PYTHON_PKGNAMEPREFIX}scipy>=1.1.0:science/py-scipy@${PY_FLAVOR}
+# nwchem:science/nwchem
TEST_DEPENDS= ${PYTHON_PKGNAMEPREFIX}pytest-mock>0:devel/py-pytest-mock@${PY_FLAVOR} \
${PYTHON_PKGNAMEPREFIX}pytest-xdist>=1.30.0:devel/py-pytest-xdist@${PY_FLAVOR} \
${PYTHON_PKGNAMEPREFIX}asap3>0:science/py-asap3@${PY_FLAVOR} \
@@ -29,4 +29,6 @@ USE_PYTHON= distutils concurrent autoplist pytest
NO_ARCH= yes
+# tests as of 3.26.0: 25 failed, 3036 passed, 538 skipped, 5 xfailed, 49 warnings, 10 errors in 2377.98s (0:39:37), see https://gitlab.com/ase/ase/-/issues/1746, https://gitlab.com/ase/ase/-/issues/1747
+
.include <bsd.port.mk>
diff --git a/science/py-ase/distinfo b/science/py-ase/distinfo
index 856920eb9664..eb2ad2c0fbb6 100644
--- a/science/py-ase/distinfo
+++ b/science/py-ase/distinfo
@@ -1,3 +1,3 @@
-TIMESTAMP = 1720836089
-SHA256 (ase-3.23.0.tar.gz) = 91a2aa31d89bd90b0efdfe4a7e84264f32828b2abfc9f38e65e041ad76fec8ae
-SIZE (ase-3.23.0.tar.gz) = 2336462
+TIMESTAMP = 1757118068
+SHA256 (ase-3.26.0.tar.gz) = a071a355775b0a8062d23e9266e9d811b19d9f6d9ec5215e8032f7d93dc65075
+SIZE (ase-3.26.0.tar.gz) = 2405567
diff --git a/science/py-ase/files/patch-pyproject.toml b/science/py-ase/files/patch-pyproject.toml
new file mode 100644
index 000000000000..f1ffc89d09c4
--- /dev/null
+++ b/science/py-ase/files/patch-pyproject.toml
@@ -0,0 +1,11 @@
+--- pyproject.toml.orig 2025-09-06 00:22:04 UTC
++++ pyproject.toml
+@@ -7,8 +7,6 @@ readme = 'README.rst'
+ description='Atomic Simulation Environment'
+ dynamic = ['version']
+ readme = 'README.rst'
+-license = 'LGPL-2.1-or-later'
+-license-files = ['LICENSE']
+ maintainers = [{ name = 'ASE Community', email = 'ase-users@listserv.fysik.dtu.dk' }]
+ classifiers = [
+ 'Development Status :: 6 - Mature',
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-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-kimpy/Makefile b/science/py-kimpy/Makefile
index 442b5c9a82d3..0c537ae18c1e 100644
--- a/science/py-kimpy/Makefile
+++ b/science/py-kimpy/Makefile
@@ -1,6 +1,5 @@
PORTNAME= kimpy
-DISTVERSION= 2.1.1
-PORTREVISION= 1
+DISTVERSION= 2.1.3
CATEGORIES= science python
MASTER_SITES= PYPI
PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX}
@@ -19,7 +18,11 @@ RUN_DEPENDS= ${PYNUMPY}
USES= compiler:c++20-lang pkgconfig python
USE_PYTHON= distutils autoplist pytest # tests fail to run, see https://github.com/openkim/kimpy/issues/16
+TEST_WRKSRC= ${WRKSRC}/tests
+
post-install:
@${STRIP_CMD} ${STAGEDIR}${PYTHON_SITELIBDIR}/kimpy/*${PYTHON_TAG}.so
+# tests as of 2.1.3: 21 passed in 2.91s
+
.include <bsd.port.mk>
diff --git a/science/py-kimpy/distinfo b/science/py-kimpy/distinfo
index e7d3c6deaef7..6d692faf3795 100644
--- a/science/py-kimpy/distinfo
+++ b/science/py-kimpy/distinfo
@@ -1,3 +1,3 @@
-TIMESTAMP = 1726458544
-SHA256 (kimpy-2.1.1.tar.gz) = 3ab9ab64179cdf8b7d41704330d12bbb78461792664354e9e9144098709bc636
-SIZE (kimpy-2.1.1.tar.gz) = 50141
+TIMESTAMP = 1757123909
+SHA256 (kimpy-2.1.3.tar.gz) = 2a4a4455dfc5aeb5b8379a96b7c1e7a3f34bfe6bd3c077e23a3e27b8829c2aed
+SIZE (kimpy-2.1.3.tar.gz) = 49856
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-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-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/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/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/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