BSD Portsscience/mctc-lib 0.6.1 FreeBSD
Computation tool chain library to work with molecular structure data
- System
- FreeBSD
- Repository
- FreeBSD ports
- Maintainer
- [email protected]
- Last update
- Commit
5a1488a8f3- License
- APACHE20
- Categories
- science
- Package size
- 397.7 KiB, 664.2 KiB installed
Description
Common tool chain for working with molecular structure data in various applications. This library provides a unified way to perform operations on molecular structure data, like reading and writing to common geometry file formats.
In the other systems
| System | Port | Version |
|---|---|---|
| FreeBSD | science/mctc-lib | 0.6.1 |
| DragonFly | science/mctc-lib | 0.3.2 |
Install
Binary package:
pkg install mctc-libFrom the ports tree:
cd /usr/ports/science/mctc-lib/ && make install cleanTo depend on this port in another port's Makefile:
RUN_DEPENDS= mctc-lib>0:science/mctc-lib
LIB_DEPENDS= libmctc-lib.so:science/mctc-libPackages
The version each package repository carries. “-” means the repository builds no package of it, “n/a” that there is no such repository.
| Repository | aarch64 | amd64 | armv6 | armv7 | i386 |
|---|---|---|---|---|---|
| FreeBSD:14:latest | 0.5.2 | 0.5.2 | - | 0.4.0 | 0.5.2 |
| FreeBSD:14:quarterly | 0.5.2 | 0.5.2 | n/a | 0.4.0 | 0.5.2 |
| FreeBSD:15:latest | 0.5.2 | 0.5.2 | n/a | 0.4.0 | 0.4.0 |
| FreeBSD:15:quarterly | 0.5.2 | 0.5.2 | n/a | n/a | n/a |
| FreeBSD:16:latest | 0.5.2 | 0.5.2 | n/a | n/a | n/a |
| FreeBSD:16:quarterly | n/a | n/a | n/a | n/a | n/a |
Dependencies
The Makefile names none itself; they come from USES and USE_*.
The full lists below include those, and their dependencies in turn.
Build dependencies 17
Run dependencies 8
Configuration
No options to configure.
- USES
- cmake:testing fortran
- Service scripts
- none
Files
pkg-plist 70
- bin/mctc-convert
- include/mctc-lib/modules/mctc_cutoff.mod
- include/mctc-lib/modules/mctc_data.mod
- include/mctc-lib/modules/mctc_data_atomicrad.mod
- include/mctc-lib/modules/mctc_data_covrad.mod
- include/mctc-lib/modules/mctc_data_paulingen.mod
- include/mctc-lib/modules/mctc_data_vdwrad.mod
- include/mctc-lib/modules/mctc_env.mod
- include/mctc-lib/modules/mctc_env_accuracy.mod
- include/mctc-lib/modules/mctc_env_error.mod
- include/mctc-lib/modules/mctc_env_system.mod
- include/mctc-lib/modules/mctc_env_testing.mod
- include/mctc-lib/modules/mctc_env_timer.mod
- include/mctc-lib/modules/mctc_io.mod
- include/mctc-lib/modules/mctc_io_codata2018.mod
- include/mctc-lib/modules/mctc_io_constants.mod
- include/mctc-lib/modules/mctc_io_convert.mod
- include/mctc-lib/modules/mctc_io_filetype.mod
- include/mctc-lib/modules/mctc_io_math.mod
- include/mctc-lib/modules/mctc_io_read.mod
- include/mctc-lib/modules/mctc_io_read_aims.mod
- include/mctc-lib/modules/mctc_io_read_cjson.mod
- include/mctc-lib/modules/mctc_io_read_ctfile.mod
- include/mctc-lib/modules/mctc_io_read_gaussian.mod
- include/mctc-lib/modules/mctc_io_read_genformat.mod
- include/mctc-lib/modules/mctc_io_read_json.mod
- include/mctc-lib/modules/mctc_io_read_pdb.mod
- include/mctc-lib/modules/mctc_io_read_pymatgen.mod
- include/mctc-lib/modules/mctc_io_read_qchem.mod
- include/mctc-lib/modules/mctc_io_read_qcschema.mod
- include/mctc-lib/modules/mctc_io_read_turbomole.mod
- include/mctc-lib/modules/mctc_io_read_vasp.mod
- include/mctc-lib/modules/mctc_io_read_xyz.mod
- include/mctc-lib/modules/mctc_io_resize.mod
- include/mctc-lib/modules/mctc_io_structure.mod
- include/mctc-lib/modules/mctc_io_structure_info.mod
- include/mctc-lib/modules/mctc_io_symbols.mod
- include/mctc-lib/modules/mctc_io_utils.mod
- include/mctc-lib/modules/mctc_io_write.mod
- include/mctc-lib/modules/mctc_io_write_aims.mod
- include/mctc-lib/modules/mctc_io_write_cjson.mod
- include/mctc-lib/modules/mctc_io_write_ctfile.mod
- include/mctc-lib/modules/mctc_io_write_gaussian.mod
- include/mctc-lib/modules/mctc_io_write_genformat.mod
- include/mctc-lib/modules/mctc_io_write_pdb.mod
- include/mctc-lib/modules/mctc_io_write_pymatgen.mod
- include/mctc-lib/modules/mctc_io_write_qchem.mod
- include/mctc-lib/modules/mctc_io_write_qcschema.mod
- include/mctc-lib/modules/mctc_io_write_turbomole.mod
- include/mctc-lib/modules/mctc_io_write_vasp.mod
- include/mctc-lib/modules/mctc_io_write_xyz.mod
- include/mctc-lib/modules/mctc_ncoord.mod
- include/mctc-lib/modules/mctc_ncoord_dexp.mod
- include/mctc-lib/modules/mctc_ncoord_erf.mod
- include/mctc-lib/modules/mctc_ncoord_erf_dftd4.mod
- include/mctc-lib/modules/mctc_ncoord_erf_en.mod
- include/mctc-lib/modules/mctc_ncoord_exp.mod
- include/mctc-lib/modules/mctc_ncoord_type.mod
- include/mctc-lib/modules/mctc_version.mod
- lib/cmake/mctc-lib/Findjonquil.cmake
- lib/cmake/mctc-lib/Findtoml-f.cmake
- lib/cmake/mctc-lib/mctc-lib-config-version.cmake
- lib/cmake/mctc-lib/mctc-lib-config.cmake
- lib/cmake/mctc-lib/mctc-lib-targets-.cmake
- lib/cmake/mctc-lib/mctc-lib-targets.cmake
- lib/cmake/mctc-lib/mctc-utils.cmake
- lib/libmctc-lib.so
- lib/libmctc-lib.so.0
- lib/libmctc-lib.so.0.6.1
- libdata/pkgconfig/mctc-lib.pc
distinfo 1
| File | Size | SHA256 |
|---|---|---|
| grimme-lab-mctc-lib-v0.6.1_GH0.tar.gz | 210921 | 064e96515d3c68682c1613c5fd196c95185d36f40a1621f188948d663e75cdbe |