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* Change from MPICH2 to MPICH optionsunpoet2018-09-241-4/+4
* science/hypre: Change from net/mpich2 to net/mpichyuri2018-09-241-7/+8
* New port: science/elk: All-electron full-potential linearised augmented-plane...yuri2018-09-237-0/+102
* science/cp2k: Change from net/mpich2 -> net/mpichyuri2018-09-231-2/+4
* Change 10 ports from net/mpich2 to net/mpichyuri2018-09-232-4/+7
* Change 20 ports from net/mpich2 to net/mpichyuri2018-09-2315-29/+40
* Update ilmbase and openexr to 2.3.0, rename OpenEXR to openexr.mandree2018-09-221-1/+2
* science/py-PyFR: Update dependencies: move one under the option option, add a...yuri2018-09-221-5/+6
* Fix build on gcc-based archs by updating USES.linimon2018-09-221-2/+1
* science/py-PyFR: Fix the OpenMP computation mode by adding -I and -L flags to...yuri2018-09-222-5/+20
* science/py-chempy: python2 is deprecated for this version of chempy.yuri2018-09-221-2/+1
* science/py-chempy: Update 0.7.2 -> 0.7.3yuri2018-09-212-4/+18
* New port: science/py-PyFR: Framework for solving advection-diffusion type pro...yuri2018-09-214-0/+65
* Update to 1.4.0sunpoet2018-09-212-6/+7
* Update to 1.4.0sunpoet2018-09-212-6/+7
* science/atompaw: Update 4.1.0.3 -> 4.1.0.4yuri2018-09-202-5/+4
* science/py-chempy: Fix typosyuri2018-09-202-2/+2
* New port: science/py-chempy: Package useful useful for solving problems in ch...yuri2018-09-204-0/+53
* science/py-spglib: Update 1.10.4.1 -> 1.10.4.11yuri2018-09-202-4/+4
* Upgrade these ports to USES=compiler:c++11-lang to fix build on gcc-basedlinimon2018-09-181-1/+1
* Previous commit unbroke on powerpc64.linimon2018-09-181-2/+1
* - Update to 0.4-3tota2018-09-182-5/+4
* science/py-pymol: Update 2.1.0 -> 2.2.0yuri2018-09-186-39/+52
* science/py-pymatgen: Update 2018.8.10 -> 2018.9.1yuri2018-09-182-4/+4
* science/openmx: BROKEN on i386 pending the llvm bug resolutionyuri2018-09-151-0/+2
* Never use ${FLAVOR} directly in dependencies, FLAVOR is not transitive.mat2018-09-141-1/+1
* science/cp2k: Require the option OPENMP=on in fftw3 for options OPENMP and OP...yuri2018-09-141-2/+11
* New port: science/luscus: Molecular editor and vieweryuri2018-09-146-0/+178
* New port: science/py-phono3py: Software to calculate phonon-phonon interactio...yuri2018-09-144-0/+45
* New port: science/py-phonopy: Package for phonon calculations at harmonic and...yuri2018-09-144-0/+56
* New port: science/py-molmod: Collection of molecular modelling tools for pythonyuri2018-09-144-0/+36
* science/dftbplus: Correct license; Correct patchesyuri2018-09-145-26/+4
* science/dftbplus: Update license; Add the 'test' target; etc.yuri2018-09-144-37/+29
* science/qbox: Update 1.66.1 -> 1.66.2yuri2018-09-132-4/+4
* science/dftbplus: Fix ARPACK handling; Link with clang; etcyuri2018-09-133-13/+82
* New port: science/dftbplus: Package for performing fast atomistic simulationsyuri2018-09-138-0/+194
* - Make NLS support optionaldanfe2018-09-122-14/+16
* - Update `science/gwyddion' to version 2.51danfe2018-09-123-278/+95
* science/qbox: Update 1.65.0 -> 1.66.1yuri2018-09-122-4/+4
* science/PETSc: Update 3.9.3 -> 3.9.4yuri2018-09-122-5/+4
* New port: science/openmx: Nanoscale material simulations using density functi...yuri2018-09-1215-0/+599
* Change x11/xorgproto to become a build depzeising2018-09-126-5/+6
* - Update to 3.0.2.stephen2018-09-112-4/+4
* Remove MASTER_SITE_SUBDIRsunpoet2018-09-111-1/+0
* Add EXAMPLES options to ports that should have one.mat2018-09-101-1/+1
* Add DOCS options to ports that should have one.mat2018-09-107-3/+15
* After an include, PLIST_SUB must be appended to, not overwritten.mat2018-09-101-4/+4
* Remove ONLY_FOR_ARCHS_REASON_<arch> that are not architecture dependant.mat2018-09-101-1/+0
* science/msms: Add back NO_WRKSUBDIRyuri2018-09-101-4/+5
* science/vmd: Remove RESTRICTED: not requiredyuri2018-09-101-2/+0
* science/msms: Remove RESTRICTED, change LICENSE_PERMS to noneyuri2018-09-101-3/+1
* science/namd: Remove RESTRICTED because LICENSE_PERMS is restrictiveyuri2018-09-101-3/+1
* science/msms: Simplifyyuri2018-09-101-6/+4
* New port: science/msms: Program to efficiently compute molecular surfacesyuri2018-09-106-0/+77
* - Update to 3.0.1.stephen2018-09-102-4/+4
* science/lm: USES=python only when PYTHON=ONyuri2018-09-101-1/+2
* science/vmd: License auto-accept -> no-auto-acceptyuri2018-09-101-1/+1
* New port: science/lm: Software for sampling trajectories of the reaction-diff...yuri2018-09-1011-0/+254
* science/vmd: Add RESTRICTED clause.yuri2018-09-101-1/+3
* science/namd: Add IGNORE clause instead of the custom do-fetch clause for the...yuri2018-09-101-14/+7
* Take maintainershipsunpoet2018-09-101-2/+3
* science/namd: Downgrade 2-12-211 -> 2.12yuri2018-09-094-25/+22
* science/namd: Change LICENSE_PERMS: no redistribution is allowed.yuri2018-09-091-1/+1
* New port: science/namd: Computer software for molecular dynamics simulationyuri2018-09-096-0/+115
* science/metaphysicl: Update 0.3.0 -> 0.3.0.1yuri2018-09-082-4/+4
* science/metaphysicl: Update 0.2.0-23 -> 0.3.0yuri2018-09-083-5/+7
* science/mpqc: Add -lmpich to LDFLAGS: this fixes science/libghemical buildyuri2018-09-071-1/+2
* Update the current KDE Applications to 18.08.1, the latest release.adridg2018-09-072-6/+6
* Update to 1.27.0sunpoet2018-09-073-6/+6
* Update MASTER_SITES and WWWsunpoet2018-09-072-2/+2
* New port: science/lammps: Classical molecular dynamics code with a focus on m...yuri2018-09-065-0/+199
* New port: science/mdynamix: General purpose molecular dynamics codeyuri2018-09-064-0/+48
* science/cp2k: Add multiprocessing options MPI and OPENMP_MPIyuri2018-09-062-5/+22
* Update science/hdf5 to 1.10.2sunpoet2018-09-0627-39/+36
* New port: science/cp2k: Quantum chemistry and solid state physics software pa...yuri2018-09-055-0/+167
* science/atom: Correctionsyuri2018-09-052-9/+10
* New port: science/atom: Program for DFT calculations in atomsyuri2018-09-045-0/+60
* New port: science/libgridxc: Library to compute the exchange and correlation ...yuri2018-09-049-0/+228
* Remove science/mpqc-mpich: Enable MPI option in science/mpqc by defaultyuri2018-09-043-19/+6
* New port: science/siesta: Program to perform efficient electronic structure c...yuri2018-09-044-0/+48
* Fix build with Qt 5.11jhale2018-09-032-1/+6
* science/fleur: Add the forgotten patches.yuri2018-09-035-0/+116
* science/fleur: Add WANNIER option to use Wannier libraryyuri2018-09-031-3/+9
* New port: science/wannier90: Maximally-localized Wannier functions (MLWFs) an...yuri2018-09-035-0/+65
* science/fleur: Add port options for libraries: mpi, scalapack, elpa, hdf5yuri2018-09-031-0/+32
* New port: science/fleur: FLAPW code for atomic computations in quantum chemis...yuri2018-09-034-0/+36
* science/dalton: Fix license.yuri2018-09-021-2/+1
* New port: science/dalton: Powerful molecular electronic structure program for...yuri2018-09-029-0/+438
* New port: science/teem: Libraries for representing, processing and visualizin...yuri2018-09-025-0/+75
* science/jdftxL Update 1.4.2-73 -> 1.4.2-74yuri2018-09-023-15/+486
* science/nwchem: Add build-time python dependencyyuri2018-09-021-1/+3
* New port: science/py-gpaw: DFT and beyond within the projector-augmented wav...yuri2018-09-024-0/+40
* New port: science/py-ase: Atomic simulation environmentyuri2018-09-024-0/+33
* science/crf++: Fix build with Clang 6tobik2018-09-011-0/+21
* New port: science/jdftx: Software for joint density functional theory in chem...yuri2018-09-017-0/+554
* devel/google{test,mock}: update to 1.8.1jbeich2018-09-011-1/+1
* devel/boehm-gc: update to 7.6.8fernape2018-09-011-1/+1
* science/qbox: Correct LICENSE, etcyuri2018-09-012-3/+3
* Remove LICENSE_FILE from PORTDOCSsunpoet2018-08-312-1/+4
* Fix build with Qt 5.11jhale2018-08-313-1/+18
* New port: science/qbox: First-principles molecular dynamics codeyuri2018-08-315-0/+96
* science/chrono: Update 2.0.0-9063 -> 2.0.0-9070yuri2018-08-313-8/+29
* Deprecate KDE4 software in categories graphics-textproc.adridg2018-08-312-0/+6
* science/gabedit: Add BROKEN_i386yuri2018-08-311-3/+5
* science/qwalk: Add PORTSCOUT=limityuri2018-08-311-0/+2
* science/py-rmf: Correct versionyuri2018-08-312-4/+4
* science/rmf: Correct versionyuri2018-08-312-11/+4
* science/libint: PORTSCOUT=limityuri2018-08-311-0/+2
* Update to 1.1.1sunpoet2018-08-302-4/+4
* Update to 2.8.2sunpoet2018-08-303-5/+5
* science/libint2: Add configure options needed for depending ports; Add STATIC...yuri2018-08-292-2/+9
* science/libint: Add STATIC option that keeps static libsyuri2018-08-292-1/+9
* science/py-gsd: Update 1.5.2 -> 1.5.3yuri2018-08-282-5/+6
* science/libint2: Use PKGNAMESUFFIXyuri2018-08-281-4/+2
* New port: science/libint2: Evaluate the integrals in modern atomic and molecu...yuri2018-08-286-0/+411
* science/libint: Update 1.1.6 -> 1.2.1yuri2018-08-287-30/+20
* science/mpqc: Fix portlint warnings about non-ASCII characters; Change WWW to...yuri2018-08-281-4/+4
* science/ghemical: Fix build error on CURRENT; Add missing dependencesyuri2018-08-281-7/+13
* Fix typo in version.mat2018-08-272-4/+4
* New port: science/madness: Multiresolution adaptive numeric environment for s...yuri2018-08-278-0/+281
* New port: science/datawarrior: Chemistry-aware multi-purpose data visualizati...yuri2018-08-274-0/+66
* - Update to 2.32tota2018-08-272-4/+4
* New port: science/multiwfn: Multifunctional wavefunction analysis for quantum...yuri2018-08-275-0/+63
* science/gabedit: Add the option OPENMPyuri2018-08-261-4/+10
* New port: science/gabedit: Graphical user interface for several chemistry sof...yuri2018-08-264-0/+71
* science/nwchem: Add forgotten filesyuri2018-08-253-0/+1461
* Update KDE Applications to 18.08tcberner2018-08-253-7/+6
* science/py-abipy: Update 0.5.0 -> 0.6.0yuri2018-08-253-7/+7
* New port: science/octopus: Scientific program aimed at the ab initio virtual ...yuri2018-08-255-0/+1984
* science/gromacs: Update 2018.2 -> 2018.3yuri2018-08-253-7/+6
* science/nwchem: Add additional build steps and environment variablesyuri2018-08-241-2/+8
* science/nwchem: Fix the mistake in handling the config fileyuri2018-08-241-5/+2
* science/nwchem: Fix typoyuri2018-08-241-1/+1
* New port: science/nwchem: High-performance computational chemistry sotwareyuri2018-08-244-0/+77
* - Update to 3.0.0.stephen2018-08-244-20/+14
* science/qmcpack: BROKEN on i386yuri2018-08-241-0/+1
* Update WWWsunpoet2018-08-241-1/+1
* science/qwalk: Correct the version: it is 1.0.1-300yuri2018-08-212-5/+6
* New port: science/qwalk: Quantum Monte Carlo package for quantum chemistry co...yuri2018-08-216-0/+72
* - Update to 1.0.4tota2018-08-202-4/+4
* - Update to 1.0.3tota2018-08-202-5/+11
* science/qmcpack: Broken on 10yuri2018-08-201-0/+2
* New port: science/qmcpack: Many-body ab initio Quantum Monte Carlo code for q...yuri2018-08-205-0/+72
* science/py-pymatgen: Update 2018.6.11 -> 2018.8.10yuri2018-08-202-5/+5
* New port: science/chrono: C++ library for multi-physics simulationyuri2018-08-206-0/+1308
* Update to 1.9.5sunpoet2018-08-192-6/+8
* science/py-spglib: Update 1.10.3.65 -> 1.10.4.1yuri2018-08-182-4/+4
* science/rdkit: Update 2018_03_3 -> 2018_03_4yuri2018-08-182-5/+4
* - Update to 0.9-27tota2018-08-132-4/+4
* - Update to 1.7-0tota2018-08-102-5/+4
* Set MAINTAINER of mine ports to @FreeBSD.org email.arrowd2018-08-092-2/+2
* Re-add port: science/xdrawchem: Two-dimensional molecule drawing programyuri2018-08-095-0/+220
* devel/boost-*: update to 1.68.0jbeich2018-08-0914-11/+14
* science/spglib: Update 1.10.3 -> 1.10.4yuri2018-08-092-4/+4
* Remove broken and expired port which also depends on clang38 (on 10).brooks2018-08-0910-7766/+0
* Switch to xorgproto instead of individual packageszeising2018-08-011-2/+2
* science/py-scikit-learn: update to 0.19.2rm2018-07-302-5/+4
* Bump PORTREVISION for ports depending on the canonical version of GCCgerald2018-07-3061-44/+61
* Update WWWsunpoet2018-07-301-1/+1
* Update to 1.14.4sunpoet2018-07-302-5/+4
* science/abinit: Update 8.8.3 -> 8.8.4yuri2018-07-292-4/+4
* science/ALPSCore: Update 2.1.1 -> 2.2.0yuri2018-07-294-16/+50
* Update math/libqalculate and math/qalculate to 2.6.1jhale2018-07-272-1/+2
* science/xcrysden: Add missing runtime dependenciesyuri2018-07-271-1/+6
* science/libghemical: Fix C++11 errors on 12yuri2018-07-261-0/+1
* science/mpqc: Fix buildyuri2018-07-253-41/+8
* science/psychopy: Update 1.90.2 -> 1.90.3yuri2018-07-222-4/+4
* science/mpqc: Unbreak on CURRENTyuri2018-07-222-0/+40
* science/paraview: Add patch to fix build with upcomeing cmake-3.12tcberner2018-07-212-1/+14
* science/rdkit: Update 2018_03_2 -> 2018_03_3yuri2018-07-202-9/+4
* New port: science/xcrysden: Crystalline and molecular structure visualisation...yuri2018-07-207-0/+530
* science/quantum-espresso: Add pseudo potential files because they are used in...yuri2018-07-195-19/+273
* New port: science/quantum-espresso: Package for research in electronic struct...yuri2018-07-197-0/+181
* science/libghemical: Use ${GCC_DEFAULT} in CONFIGURE_ENVyuri2018-07-181-1/+1
* science/ghemical: Remove DEPRECATED/EXPIRATION_DATE labelsyuri2018-07-182-5/+3
* science/libghemical: Remove BROKEN/DEPRECATED labelsyuri2018-07-182-6/+10
* science/mpqc: Fix library dependenciesyuri2018-07-184-15/+40
* science/py-OpenFermion: Update 0.7 -> 0.8yuri2018-07-182-4/+4
* science/libghemical: Take maintainership.yuri2018-07-171-1/+1
* Deprecate ports broken for more than 5 monthsantoine2018-07-172-0/+5
* Update KDE Applications to 18.04.3tcberner2018-07-143-7/+6
* science/openstructure: Add USE_CXXSTD=c++98; Use MASTER_SITES instead of USE_...yuri2018-07-132-10/+8
* science/openstructure: Fix build by using -std=c++98yuri2018-07-132-6/+10
* science/libssm: Fix build: put spaces between quotedstrings and defined value...yuri2018-07-131-1/+10
* science/pulseview: unbreak with boost 1.68 on FreeBSD 10.*jbeich2018-07-131-1/+1
* science/rubygem-ruby-dcl: update to 1.8.1swills2018-07-102-6/+12
* science/libssm: Fix build on 12yuri2018-07-101-0/+13
* science/openstructure: Fix build on 12 broken due to the obvious misuse of st...yuri2018-07-102-1/+18
* science/openstructure: Change MASTER_SITES to project's gitlab tarball URLyuri2018-07-102-6/+10
* Remove all := from BUILD_DEPENDS, here are never needed.mat2018-07-091-1/+1
* New port: science/openstructure: Molecular modelling and visualization enviro...yuri2018-07-0915-0/+1169
* science/atompaw: Update 4.0.0.14 -> 4.1.0.3yuri2018-07-092-4/+4
* science/libssm: Version number correcton 1.4 -> 1.4.0yuri2018-07-082-4/+4
* New port: science/coot: Crystallographic Object-Oriented Toolkityuri2018-07-087-0/+14552
* New port: science/clipper: Libraries for the organisation of crystallographic...yuri2018-07-085-0/+145
* science/libssm: Remove accidentally left partsyuri2018-07-081-7/+0
* New port: science/libssm: C++ toolkit for superposition of macromoleculesyuri2018-07-085-0/+56
* New port: science/libccp4: Protein X-ray crystallography toolkityuri2018-07-085-0/+91
* science/mmdb2: Update 2.0.12 -> 2.0.16yuri2018-07-082-4/+4
* New port: science/mmdb2: C++ toolkit for working with macromolecular coordina...yuri2018-07-085-0/+78
* science/simlib: Fix buildtobik2018-07-082-0/+22
* science/PETSc: Update 3.9.2 -> 3.9.3yuri2018-07-053-5/+5
* science/py-quantities: Update 0.12.1 -> 0.12.2yuri2018-07-052-4/+4
* New port: science/py-rmf: Library to support reading and writing of Rich Mole...yuri2018-07-018-0/+151
* science/py-ScientificPython: Change WWW URL; Change to CHEESESHOPyuri2018-07-012-2/+3
* New port: science/rmf: Library to support reading and writing of Rich Molecul...yuri2018-06-296-0/+185
* New port: science/py-ScientificPython: Various Python modules for scientific ...yuri2018-06-294-0/+37
* Clean up Makefilesunpoet2018-06-291-15/+2
* Add eccodes 2.8.0sunpoet2018-06-295-0/+15319
* Replace bsd.qt.mk by Uses/qt.mk and Uses/qt-dist.mktcberner2018-06-2914-27/+30
* Fix MASTER_SITESsunpoet2018-06-281-2/+0
* science/paraview: Fix protobuf conflict, upgrade to 5.5.1, modernize optionsjwb2018-06-279-35/+36
* science/py-OpenFermion: Update 0.6 -> 0.7yuri2018-06-272-4/+4
* - Add LICENSEamdmi32018-06-261-0/+4
* Mark as broken on aarch64.linimon2018-06-251-0/+2
* Add py-kinematics 0.0.7sunpoet2018-06-254-0/+33
* science/gchemutils: mark BROKEN if XUL option is chosenrene2018-06-231-0/+1
* Update math/gsl to 2.5tcberner2018-06-2311-6/+11
* - Fix LICENSEamdmi32018-06-221-10/+5
* Correction to r473019: Revert the unintended change to the 'Created by' headers.yuri2018-06-221-1/+1
* science/mbdyn: Take maintainership.yuri2018-06-221-1/+1
* Reset MAINTAINER on ports maintained by amutu@amutu.comyuri2018-06-224-5/+5
* - Update to 1.1.0wen2018-06-222-4/+4
* Mark these ports as broken on aarch64, and, where appropriate, on armvX.linimon2018-06-222-0/+6
* science/triqs: Broken on i386yuri2018-06-211-0/+1
* science/abinit: Update 8.8.2 -> 8.8.3yuri2018-06-212-4/+4
* Use PY_FLAVOR for dependencies.mat2018-06-2125-105/+105
* - Update to 0.6-2.1tota2018-06-202-6/+5
* science/py-spglib: Fix typo in COMMENTyuri2018-06-191-1/+1
* science/py-PyQuante: Change to USES=2.7yuri2018-06-191-1/+1
* science/py-abipy: Change FLAVOR -> PY_FLAVORyuri2018-06-191-15/+15
* science/py-pymatgen: Add USE_PYTHON=concurrentyuri2018-06-191-1/+2
* science/py-netCDF4: Add USE_PYTHON=concurrentyuri2018-06-191-1/+2
* Adjust USES to fix builds on gcc-based architectures.linimon2018-06-191-1/+1
* Mark ports broken on powerpc64, categories o-z.linimon2018-06-182-1/+5
* New port: science/py-SimpleSpectral: Simplified scipy.signal.spectral module ...yuri2018-06-184-0/+38
* science/Makefile: Fix sortednessyuri2018-06-181-1/+1
* New port: science/py-PyQuante: Quantum chemistry in Pythonyuri2018-06-184-0/+36
* science/rdkit: Update 2018_03_1 -> 2018_03_2yuri2018-06-182-7/+12
* science/triqs: Limit portscout to valid versionsyuri2018-06-181-0/+2
* New port: science/dft_tools: Interface to DFT codes in TRIQSyuri2018-06-176-0/+96
* New port: science/triqs: Toolbox for Research on Interacting Quantum Systemsyuri2018-06-178-0/+429
* science/gromacs: Chase the changed tarballyuri2018-06-172-3/+4
* New port: science/py-abipy: Library for analyzing the results produced by ABINITyuri2018-06-164-0/+49
* New port: science/py-pymatgen: Python Materials Genomics is a robust material...yuri2018-06-164-0/+51
* science/py-spglib: Remove stray USES; Update COMMENT; Update WWWyuri2018-06-162-3/+3
* New port: science/py-spglib: Library for finding and handling crystal symmetriesyuri2018-06-164-0/+30
* New port: science/spglib: C library for finding and handling crystal symmetriesyuri2018-06-165-0/+61
* science/libcint: Update 3.0.12 -> 3.0.13yuri2018-06-152-4/+4
* science/gromacs: Update 2018.1 -> 2018.2yuri2018-06-143-10/+10
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