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* Update SphinxDanilo G. Baio2020-05-111-1/+1
* science/ghemical: Not compatible with the upcoming OpenBabel-3 => disable thi...Yuri Victorovich2020-05-102-3/+31
* science/coordgenlibs: Update 1.4.0 -> 1.4.0-6; Fix the missing file templates...Yuri Victorovich2020-05-103-5/+17
* science/pulseview: Use buildtools, linguisttools as build dependencies.Boris Samorodov2020-05-101-1/+2
* devel/libfmt: Update to 6.2.1Tobias Kortkamp2020-05-101-1/+1
* science: Update 1.69.1 -> 1.71.0Yuri Victorovich2020-05-092-4/+4
* Convert REINPLACE_CMD to patch filesSunpoet Po-Chuan Hsieh2020-05-089-3/+82
* science/vipster: Update 1.18b-75 -> 1.18b-174Yuri Victorovich2020-05-073-43/+26
* science/nwchem: Update to 7.0.0-releaseYuri Victorovich2020-05-072-4/+5
* science/nwchem-data: Update 6.8.1.20190125 -> 7.0.0Yuri Victorovich2020-05-073-5/+7
* science/latte: Update 1.2.1 -> 1.2.2Yuri Victorovich2020-05-073-7/+9
* science/erkale-pseudopotentials: Update g20190114 -> g20200426Yuri Victorovich2020-05-073-5/+18
* - Update math/armadillo to 9.870.2Danilo Egea Gondolfo2020-05-061-1/+1
* science/erkale: Change the default flavor to 'parallel'; Remove the redundant...Yuri Victorovich2020-05-061-2/+1
* Bump 37 ports depending on math/openblas through USES=blaslapack:openblas bec...Yuri Victorovich2020-05-0610-7/+10
* Bump 46 ports depending on math/openblas because the after the recent math/op...Yuri Victorovich2020-05-0612-7/+12
* Add compiler:c++14-lang to USES to fix build on GCC-based systems:Mark Linimon2020-05-061-1/+2
* Add compiler:c++11-lang to USES to fix build on GCC-based systems:Mark Linimon2020-05-061-1/+1
* science/afni: update to 20.1.06Fernando Apesteguía2020-05-062-5/+4
* math/R: Update to version 4.0.0Joseph Mingrone2020-05-0516-8/+16
* Remove expired ports:Rene Ladan2020-05-0546-1359/+0
* science/votca: Enable the XTP libraryYuri Victorovich2020-05-052-2/+1573
* SortTobias Kortkamp2020-05-051-1/+1
* science/gromacs: Fix plist when MPI=onYuri Victorovich2020-05-051-3/+3
* New port: science/votca: CSG and XTP: libraries for atomistic simulationsYuri Victorovich2020-05-055-0/+806
* science/lammps: Update 15Apr2020 -> 5May2020Yuri Victorovich2020-05-054-33/+7
* - update libgd to 2.3.0Dirk Meyer2020-05-041-0/+1
* science/lammps: Add the PLUMED optionYuri Victorovich2020-05-041-16/+21
* New port: science/plumed: PLUgin for MolEcular DynamicsYuri Victorovich2020-05-046-0/+558
* New port: science/py-kliff: KIM-based Learning-Integrated Fitting FrameworkYuri Victorovich2020-05-034-0/+34
* New port: science/py-kim-query: Helper routines for querying the OpenKIM repo...Yuri Victorovich2020-05-034-0/+29
* science/lammps: Add the science/openkim-models dependency to the KIM optionYuri Victorovich2020-05-031-1/+2
* science/qbox: Update 1.68.4 -> 1.69.1Yuri Victorovich2020-05-032-4/+4
* science/lammps: Add the KIM option to enable the internal KIM packageYuri Victorovich2020-05-031-5/+12
* science/lammps: Add the VTK option enabling the internal VTK packageYuri Victorovich2020-05-031-3/+13
* science/lammps: Remove OPTIONS_DEFINE_clang that doesn't workYuri Victorovich2020-05-031-5/+3
* science/lammps: Enable all packages that don't require dependencies, and USER...Yuri Victorovich2020-05-032-7/+26
* science/lammps: Enable more internal packages; Remove grouped options from th...Yuri Victorovich2020-05-032-3/+21
* science/libxc: remove patchJohannes M Dieterich2020-05-021-11/+0
* science/libxc: Update to release 5.0.0Johannes M Dieterich2020-05-023-16/+11
* cience/lammps: Add the option to enable the KOKKOS internal package; Add the ...Yuri Victorovich2020-05-021-8/+14
* science/lammps: Add internal packages that were off by default; Change to sha...Yuri Victorovich2020-05-024-6/+35
* science/lammps: Fix plist when MPI=off; Add to CONFLICTS_BUILDYuri Victorovich2020-05-022-1/+4
* science/pulseview: Fix build (Qt5LinguistTools not found)Boris Samorodov2020-05-011-1/+1
* science/gromacs: Update 2020.1 -> 2020.2Yuri Victorovich2020-05-012-5/+4
* science/erkale: Update g20200416 -> g20200426Yuri Victorovich2020-05-012-5/+5
* science/agrum: fix build on GCC architecturesPiotr Kubaj2020-05-011-1/+1
* science/qmcpack: Update 3.8.0 -> 3.9.2Yuri Victorovich2020-05-013-8/+10
* science/afni: update to 20.1.05Fernando Apesteguía2020-04-302-4/+4
* science/highfiv: Update 2.2 -> 2.2.1Yuri Victorovich2020-04-292-4/+4
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