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ESMTPS id 4SrG9L6ttgz1N9P; Thu, 14 Dec 2023 02:13:26 +0000 (UTC) (envelope-from git@FreeBSD.org) Received: from gitrepo.freebsd.org ([127.0.1.44]) by gitrepo.freebsd.org (8.17.1/8.17.1) with ESMTP id 3BE2DQQB009083; Thu, 14 Dec 2023 02:13:26 GMT (envelope-from git@gitrepo.freebsd.org) Received: (from git@localhost) by gitrepo.freebsd.org (8.17.1/8.17.1/Submit) id 3BE2DQH7009080; Thu, 14 Dec 2023 02:13:26 GMT (envelope-from git) Date: Thu, 14 Dec 2023 02:13:26 GMT Message-Id: <202312140213.3BE2DQH7009080@gitrepo.freebsd.org> To: ports-committers@FreeBSD.org, dev-commits-ports-all@FreeBSD.org, dev-commits-ports-main@FreeBSD.org From: Yuri Victorovich Subject: git: bd628760e026 - main - science/votca: Fix build by fixing plist List-Id: Commit messages for all branches of the ports repository List-Archive: https://lists.freebsd.org/archives/dev-commits-ports-all List-Help: List-Post: List-Subscribe: List-Unsubscribe: Sender: owner-dev-commits-ports-all@freebsd.org X-BeenThere: dev-commits-ports-all@freebsd.org MIME-Version: 1.0 Content-Type: text/plain; charset=utf-8 Content-Transfer-Encoding: 8bit X-Git-Committer: yuri X-Git-Repository: ports X-Git-Refname: refs/heads/main X-Git-Reftype: branch X-Git-Commit: bd628760e02616c45e2e7b87723a2346656710fd Auto-Submitted: auto-generated The branch main has been updated by yuri: URL: https://cgit.FreeBSD.org/ports/commit/?id=bd628760e02616c45e2e7b87723a2346656710fd commit bd628760e02616c45e2e7b87723a2346656710fd Author: Yuri Victorovich AuthorDate: 2023-12-14 01:16:08 +0000 Commit: Yuri Victorovich CommitDate: 2023-12-14 02:13:24 +0000 science/votca: Fix build by fixing plist Reported by: fallout --- science/votca/Makefile | 2 +- science/votca/pkg-plist | 1265 ++++------------------------------------------- 2 files changed, 110 insertions(+), 1157 deletions(-) diff --git a/science/votca/Makefile b/science/votca/Makefile index b98dbd0c6243..39b8d6d06aaa 100644 --- a/science/votca/Makefile +++ b/science/votca/Makefile @@ -59,7 +59,7 @@ OPTIONS_DEFAULT= APPS OPTIONS_SUB= yes APPS_DESC= Build applications -APPS_CMAKE_BOOL= BUILD_CSGAPPS +APPS_CMAKE_BOOL= INSTALL_CSGAPPS do-test: # several tests fail, see https://github.com/votca/votca/issues/1098 @cd ${BUILD_WRKSRC} && \ diff --git a/science/votca/pkg-plist b/science/votca/pkg-plist index 6f8d2c36fecf..d617c07c9780 100644 --- a/science/votca/pkg-plist +++ b/science/votca/pkg-plist @@ -4,24 +4,22 @@ bin/csg_call bin/csg_density bin/csg_dlptopol bin/csg_dump -bin/csg_fluctuations +%%APPS%%bin/csg_fluctuations bin/csg_fmatch bin/csg_gmxtopol bin/csg_imc_solve bin/csg_inverse bin/csg_map -bin/csg_orientcorr -bin/csg_part_dist -bin/csg_partial_rdf +%%APPS%%bin/csg_orientcorr +%%APPS%%bin/csg_part_dist +%%APPS%%bin/csg_partial_rdf bin/csg_property -bin/csg_radii +%%APPS%%bin/csg_radii bin/csg_resample bin/csg_reupdate -bin/csg_sphericalorder +%%APPS%%bin/csg_sphericalorder bin/csg_stat -bin/csg_traj_force -bin/votca_compare -bin/votca_help2doc +%%APPS%%bin/csg_traj_force bin/votca_property bin/xtp_autogen_mapping bin/xtp_basisset @@ -137,6 +135,7 @@ include/votca/xtp/GaussianQuadratureBase.h include/votca/xtp/ImaginaryAxisIntegration.h include/votca/xtp/IncrementalFockBuilder.h include/votca/xtp/IndexParser.h +include/votca/xtp/activedensitymatrix.h include/votca/xtp/adiis.h include/votca/xtp/adiis_costfunction.h include/votca/xtp/amplitude_integration.h @@ -178,15 +177,15 @@ include/votca/xtp/ecpaobasis.h include/votca/xtp/ecpbasisset.h include/votca/xtp/eeinteractor.h include/votca/xtp/eigen.h -include/votca/xtp/energy_costfunction.h include/votca/xtp/energy_terms.h +include/votca/xtp/erdiabatization.h include/votca/xtp/esp2multipole.h include/votca/xtp/espfit.h +include/votca/xtp/fcddiabatization.h include/votca/xtp/filterfactory.h -include/votca/xtp/forces.h include/votca/xtp/gaussianwriter.h -include/votca/xtp/geometry_optimization.h include/votca/xtp/glink.h +include/votca/xtp/gmhdiabatization.h include/votca/xtp/gnode.h include/votca/xtp/grid.h include/votca/xtp/grid_containers.h @@ -216,6 +215,7 @@ include/votca/xtp/orbitals.h include/votca/xtp/orbreorder.h include/votca/xtp/paircalculator.h include/votca/xtp/parallelxjobcalc.h +include/votca/xtp/pmlocalization.h include/votca/xtp/polarregion.h include/votca/xtp/polarsite.h include/votca/xtp/populationanalysis.h @@ -255,6 +255,7 @@ include/votca/xtp/symmetric_matrix.h include/votca/xtp/threecenter.h include/votca/xtp/toolfactory.h include/votca/xtp/topology.h +include/votca/xtp/transition_densities.h include/votca/xtp/trustregion.h include/votca/xtp/vc2index.h include/votca/xtp/version.h @@ -277,34 +278,32 @@ lib/cmake/VOTCA_XTP/VOTCA_XTPConfigVersion.cmake lib/cmake/VOTCA_XTP/VOTCA_XTP_Targets-%%CMAKE_BUILD_TYPE%%.cmake lib/cmake/VOTCA_XTP/VOTCA_XTP_Targets.cmake lib/libvotca_csg.so -lib/libvotca_csg.so.2022 +lib/libvotca_csg.so.2023 lib/libvotca_tools.so -lib/libvotca_tools.so.2022 +lib/libvotca_tools.so.2023 lib/libvotca_xtp.so -lib/libvotca_xtp.so.2022 +lib/libvotca_xtp.so.2023 share/man/man1/csg_boltzmann.1.gz share/man/man1/csg_call.1.gz share/man/man1/csg_density.1.gz share/man/man1/csg_dlptopol.1.gz share/man/man1/csg_dump.1.gz -share/man/man1/csg_fluctuations.1.gz +%%APPS%%share/man/man1/csg_fluctuations.1.gz share/man/man1/csg_fmatch.1.gz share/man/man1/csg_gmxtopol.1.gz share/man/man1/csg_imc_solve.1.gz share/man/man1/csg_inverse.1.gz share/man/man1/csg_map.1.gz -share/man/man1/csg_orientcorr.1.gz -share/man/man1/csg_part_dist.1.gz -share/man/man1/csg_partial_rdf.1.gz +%%APPS%%share/man/man1/csg_orientcorr.1.gz +%%APPS%%share/man/man1/csg_part_dist.1.gz +%%APPS%%share/man/man1/csg_partial_rdf.1.gz share/man/man1/csg_property.1.gz -share/man/man1/csg_radii.1.gz +%%APPS%%share/man/man1/csg_radii.1.gz share/man/man1/csg_resample.1.gz share/man/man1/csg_reupdate.1.gz -share/man/man1/csg_sphericalorder.1.gz +%%APPS%%share/man/man1/csg_sphericalorder.1.gz share/man/man1/csg_stat.1.gz -share/man/man1/csg_traj_force.1.gz -share/man/man1/votca_compare.1.gz -share/man/man1/votca_help2doc.1.gz +%%APPS%%share/man/man1/csg_traj_force.1.gz share/man/man1/votca_property.1.gz share/man/man1/xtp_autogen_mapping.1.gz share/man/man1/xtp_basisset.1.gz @@ -330,7 +329,6 @@ share/man/man7/votca-tools.7.gz %%DATADIR%%/csg-tutorials/LJ1-LJ2/imc/table.xvg %%DATADIR%%/csg-tutorials/LJ1-LJ2/imc/topol.top %%DATADIR%%/csg-tutorials/README.rst -%%DATADIR%%/csg-tutorials/guide/README.rst %%DATADIR%%/csg-tutorials/hexane/atomistic/Extract_Energies.sh %%DATADIR%%/csg-tutorials/hexane/atomistic/boltzmann_cmds %%DATADIR%%/csg-tutorials/hexane/atomistic/conf.gro @@ -538,7 +536,12 @@ share/man/man7/votca-tools.7.gz %%DATADIR%%/csg-tutorials/methanol/imc_gromacs-remd/settings.xml %%DATADIR%%/csg-tutorials/methanol/imc_gromacs-remd/table.xvg %%DATADIR%%/csg-tutorials/methanol/imc_gromacs-remd/topol.top +%%DATADIR%%/csg-tutorials/propane/atomistic/A-A.dist.new +%%DATADIR%%/csg-tutorials/propane/atomistic/A-B.dist.new +%%DATADIR%%/csg-tutorials/propane/atomistic/B-B.dist.new %%DATADIR%%/csg-tutorials/propane/atomistic/Extract_Energies.sh +%%DATADIR%%/csg-tutorials/propane/atomistic/angle.dist.new +%%DATADIR%%/csg-tutorials/propane/atomistic/bond.dist.new %%DATADIR%%/csg-tutorials/propane/atomistic/conf.gro %%DATADIR%%/csg-tutorials/propane/atomistic/fmatch.xml %%DATADIR%%/csg-tutorials/propane/atomistic/grompp.mdp @@ -558,13 +561,63 @@ share/man/man7/votca-tools.7.gz %%DATADIR%%/csg-tutorials/propane/ibi/table_a1.xvg %%DATADIR%%/csg-tutorials/propane/ibi/table_b1.xvg %%DATADIR%%/csg-tutorials/propane/ibi/topol.top +%%DATADIR%%/csg-tutorials/propane/imc-ibiintra/A-A.dist.tgt +%%DATADIR%%/csg-tutorials/propane/imc-ibiintra/A-A.pot.in +%%DATADIR%%/csg-tutorials/propane/imc-ibiintra/A-B.dist.tgt +%%DATADIR%%/csg-tutorials/propane/imc-ibiintra/A-B.pot.in +%%DATADIR%%/csg-tutorials/propane/imc-ibiintra/B-B.dist.tgt +%%DATADIR%%/csg-tutorials/propane/imc-ibiintra/B-B.pot.in +%%DATADIR%%/csg-tutorials/propane/imc-ibiintra/README +%%DATADIR%%/csg-tutorials/propane/imc-ibiintra/angle.dist.tgt +%%DATADIR%%/csg-tutorials/propane/imc-ibiintra/angle.pot.in +%%DATADIR%%/csg-tutorials/propane/imc-ibiintra/bond.dist.tgt +%%DATADIR%%/csg-tutorials/propane/imc-ibiintra/bond.pot.in +%%DATADIR%%/csg-tutorials/propane/imc-ibiintra/conf.gro +%%DATADIR%%/csg-tutorials/propane/imc-ibiintra/grompp.mdp +%%DATADIR%%/csg-tutorials/propane/imc-ibiintra/index.ndx +%%DATADIR%%/csg-tutorials/propane/imc-ibiintra/map.xml +%%DATADIR%%/csg-tutorials/propane/imc-ibiintra/pre/A-A.dist.tgt +%%DATADIR%%/csg-tutorials/propane/imc-ibiintra/pre/A-B.dist.tgt +%%DATADIR%%/csg-tutorials/propane/imc-ibiintra/pre/B-B.dist.tgt +%%DATADIR%%/csg-tutorials/propane/imc-ibiintra/pre/angle.dist.tgt +%%DATADIR%%/csg-tutorials/propane/imc-ibiintra/pre/bond.dist.tgt +%%DATADIR%%/csg-tutorials/propane/imc-ibiintra/pre/conf.gro +%%DATADIR%%/csg-tutorials/propane/imc-ibiintra/pre/grompp.mdp +%%DATADIR%%/csg-tutorials/propane/imc-ibiintra/pre/index.ndx +%%DATADIR%%/csg-tutorials/propane/imc-ibiintra/pre/map.xml +%%DATADIR%%/csg-tutorials/propane/imc-ibiintra/pre/run.sh +%%DATADIR%%/csg-tutorials/propane/imc-ibiintra/pre/settings.xml +%%DATADIR%%/csg-tutorials/propane/imc-ibiintra/pre/table.xvg +%%DATADIR%%/csg-tutorials/propane/imc-ibiintra/pre/topol.top +%%DATADIR%%/csg-tutorials/propane/imc-ibiintra/pre/topology.xml +%%DATADIR%%/csg-tutorials/propane/imc-ibiintra/run.sh +%%DATADIR%%/csg-tutorials/propane/imc-ibiintra/settings.xml +%%DATADIR%%/csg-tutorials/propane/imc-ibiintra/table.xvg +%%DATADIR%%/csg-tutorials/propane/imc-ibiintra/topol.top +%%DATADIR%%/csg-tutorials/propane/imc-ibiintra/topology.xml %%DATADIR%%/csg-tutorials/propane/imc/A-A.dist.tgt +%%DATADIR%%/csg-tutorials/propane/imc/A-A.pot.in %%DATADIR%%/csg-tutorials/propane/imc/A-B.dist.tgt +%%DATADIR%%/csg-tutorials/propane/imc/A-B.pot.in %%DATADIR%%/csg-tutorials/propane/imc/B-B.dist.tgt +%%DATADIR%%/csg-tutorials/propane/imc/B-B.pot.in %%DATADIR%%/csg-tutorials/propane/imc/Extract_Energies.sh +%%DATADIR%%/csg-tutorials/propane/imc/README %%DATADIR%%/csg-tutorials/propane/imc/conf.gro %%DATADIR%%/csg-tutorials/propane/imc/grompp.mdp %%DATADIR%%/csg-tutorials/propane/imc/index.ndx +%%DATADIR%%/csg-tutorials/propane/imc/pre/A-A.dist.tgt +%%DATADIR%%/csg-tutorials/propane/imc/pre/A-B.dist.tgt +%%DATADIR%%/csg-tutorials/propane/imc/pre/B-B.dist.tgt +%%DATADIR%%/csg-tutorials/propane/imc/pre/conf.gro +%%DATADIR%%/csg-tutorials/propane/imc/pre/grompp.mdp +%%DATADIR%%/csg-tutorials/propane/imc/pre/index.ndx +%%DATADIR%%/csg-tutorials/propane/imc/pre/run.sh +%%DATADIR%%/csg-tutorials/propane/imc/pre/settings.xml +%%DATADIR%%/csg-tutorials/propane/imc/pre/table.xvg +%%DATADIR%%/csg-tutorials/propane/imc/pre/table_a1.xvg +%%DATADIR%%/csg-tutorials/propane/imc/pre/table_b1.xvg +%%DATADIR%%/csg-tutorials/propane/imc/pre/topol.top %%DATADIR%%/csg-tutorials/propane/imc/run.sh %%DATADIR%%/csg-tutorials/propane/imc/settings.xml %%DATADIR%%/csg-tutorials/propane/imc/table.xvg @@ -582,6 +635,14 @@ share/man/man7/votca-tools.7.gz %%DATADIR%%/csg-tutorials/propane/single_chain/settings.xml %%DATADIR%%/csg-tutorials/propane/single_chain/topol.top %%DATADIR%%/csg-tutorials/scripts/Extract_Energies.sh +%%DATADIR%%/csg-tutorials/spce/3body_sw/calculate_distributions.xml +%%DATADIR%%/csg-tutorials/spce/3body_sw/convert_tables.xml +%%DATADIR%%/csg-tutorials/spce/3body_sw/fmatch.xml +%%DATADIR%%/csg-tutorials/spce/3body_sw/run.sh +%%DATADIR%%/csg-tutorials/spce/3body_sw/spce.data +%%DATADIR%%/csg-tutorials/spce/3body_sw/spce.in +%%DATADIR%%/csg-tutorials/spce/3body_sw/spce.sw +%%DATADIR%%/csg-tutorials/spce/3body_sw/water.xml %%DATADIR%%/csg-tutorials/spce/atomistic/Extract_Energies.sh %%DATADIR%%/csg-tutorials/spce/atomistic/conf.gro %%DATADIR%%/csg-tutorials/spce/atomistic/grompp.mdp @@ -837,6 +898,7 @@ share/man/man7/votca-tools.7.gz %%DATADIR%%/scripts/inverse/calc_pressure_lammps.sh %%DATADIR%%/scripts/inverse/calc_rdf_generic.sh %%DATADIR%%/scripts/inverse/calc_target_rdf_generic.sh +%%DATADIR%%/scripts/inverse/check_csg_xml.py %%DATADIR%%/scripts/inverse/clean_generic.sh %%DATADIR%%/scripts/inverse/cma_processor.py %%DATADIR%%/scripts/inverse/convergence_check_default.sh @@ -964,1125 +1026,6 @@ share/man/man7/votca-tools.7.gz %%DATADIR%%/xtp-tutorials/GROMACS/Methane/qmmm_mm.xml %%DATADIR%%/xtp-tutorials/GROMACS/Methane/system.xml %%DATADIR%%/xtp-tutorials/LAMMPS/KMC_Thiophene/LAMMPS_KMC.ipynb -%%DATADIR%%/xtp-tutorials/LAMMPS/KMC_Thiophene/MD_FILES/MD_Input/molecule_in_vacuum.data -%%DATADIR%%/xtp-tutorials/LAMMPS/KMC_Thiophene/MD_FILES/MD_Input/molecule_in_vacuum.in -%%DATADIR%%/xtp-tutorials/LAMMPS/KMC_Thiophene/MD_FILES/MD_Input/molecule_in_vacuum.in.init -%%DATADIR%%/xtp-tutorials/LAMMPS/KMC_Thiophene/MD_FILES/MD_Input/molecule_in_vacuum.in.output -%%DATADIR%%/xtp-tutorials/LAMMPS/KMC_Thiophene/MD_FILES/MD_Input/molecule_in_vacuum.in.run -%%DATADIR%%/xtp-tutorials/LAMMPS/KMC_Thiophene/MD_FILES/MD_Input/molecule_in_vacuum.in.settings -%%DATADIR%%/xtp-tutorials/LAMMPS/KMC_Thiophene/MD_FILES/newfile.data -%%DATADIR%%/xtp-tutorials/LAMMPS/KMC_Thiophene/MD_FILES/traj.dump -%%DATADIR%%/xtp-tutorials/LAMMPS/KMC_Thiophene/MP_FILES/GS_chelpg/log2mps.xml -%%DATADIR%%/xtp-tutorials/LAMMPS/KMC_Thiophene/MP_FILES/GS_chelpg/molpol.xml -%%DATADIR%%/xtp-tutorials/LAMMPS/KMC_Thiophene/MP_FILES/GS_chelpg/polar.xml -%%DATADIR%%/xtp-tutorials/LAMMPS/KMC_Thiophene/MP_FILES/GS_chelpg/system.gbw -%%DATADIR%%/xtp-tutorials/LAMMPS/KMC_Thiophene/MP_FILES/GS_chelpg/system.inp -%%DATADIR%%/xtp-tutorials/LAMMPS/KMC_Thiophene/MP_FILES/GS_chelpg/system.log -%%DATADIR%%/xtp-tutorials/LAMMPS/KMC_Thiophene/MP_FILES/GS_chelpg/system.pc_chelpg -%%DATADIR%%/xtp-tutorials/LAMMPS/KMC_Thiophene/MP_FILES/GS_chelpg/system.prop 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