BSD Portsscience/libefp 1.8.0 FreeBSD
Effective fragment potential method in quantum chemistry
- System
- FreeBSD
- Repository
- FreeBSD ports
- Maintainer
- [email protected]
- Last update
- Commit
d07114284d- License
- BSD2CLAUSE
- Categories
- science
- Package size
- 4290.9 KiB, 13804.0 KiB installed
Description
LIBEFP is a full implementation of the Effective Fragment Potential (EFP) method (EFP can be viewed as an advanced first-principles-based force-field, see Kaliman et al., JCC, 2013). LIBEFP facilitates extension of unique electronic structure methodologies designed for accurate simulations in the gas phase to condensed phases via QM/EFP. LIBEFP is designed to give developers of quantum chemistry software an easy way to add EFP support to their favourite package.
In the other systems
| System | Port | Version |
|---|---|---|
| FreeBSD | science/libefp | 1.8.0 |
| DragonFly | science/libefp | 1.5.0 |
Install
Binary package:
pkg install libefpFrom the ports tree:
cd /usr/ports/science/libefp/ && make install cleanTo depend on this port in another port's Makefile:
RUN_DEPENDS= libefp>0:science/libefp
LIB_DEPENDS= libefp.so:science/libefpPackages
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 | 1.8.0 | 1.8.0 | 1.5.0 | 1.5.0 | 1.8.0 |
| FreeBSD:14:quarterly | 1.8.0 | 1.8.0 | n/a | 1.5.0 | 1.8.0 |
| FreeBSD:15:latest | 1.8.0 | 1.8.0 | n/a | 1.5.0 | 1.5.0 |
| FreeBSD:15:quarterly | 1.8.0 | 1.8.0 | n/a | n/a | n/a |
| FreeBSD:16:latest | 1.8.0 | 1.8.0 | n/a | n/a | n/a |
| FreeBSD:16:quarterly | n/a | n/a | n/a | n/a | n/a |
Dependencies
As this port's Makefile names them.
Library 1
libopenblas.so: math/openblas
The full lists below include those, and their dependencies in turn.
Build dependencies 23
- archivers/liblz4
- archivers/zstd
- devel/binutils
- devel/cmake-core
- devel/gettext-runtime
- devel/jsoncpp
- devel/libffi
- devel/libunistring
- devel/libuv
- devel/ninja
- devel/readline
- dns/libidn2
- lang/gcc14
- lang/python312
- math/gmp
- math/mpc
- math/mpdecimal
- math/mpfr
- math/openblas
- ports-mgmt/pkg
- print/indexinfo
- security/rhash
- textproc/expat2
Run dependencies 9
No port depends on this one.
Configuration
No options to configure.
- USES
- cmake
- Service scripts
- none
Files
pkg-plist 59
- include/efp.h
- lib/libefp.so
- lib/libefp.so.1.7
- share/cmake/libefp/FindTargetLAPACK.cmake
- share/cmake/libefp/libefpConfig.cmake
- share/cmake/libefp/libefpConfigVersion.cmake
- share/cmake/libefp/libefpTargets-.cmake
- share/cmake/libefp/libefpTargets.cmake
- share/libefp/fraglib/2aminopyridine.efp
- share/libefp/fraglib/acetamide-gp.efp
- share/libefp/fraglib/acetamide-hb.efp
- share/libefp/fraglib/aceticacid-gp.efp
- share/libefp/fraglib/aceticacid-hb.efp
- share/libefp/fraglib/acetone.efp
- share/libefp/fraglib/adenine-stack.efp
- share/libefp/fraglib/adenine-wc.efp
- share/libefp/fraglib/ammonia.efp
- share/libefp/fraglib/benzene.efp
- share/libefp/fraglib/c2h5oh.efp
- share/libefp/fraglib/c6h6.efp
- share/libefp/fraglib/ccl4.efp
- share/libefp/fraglib/ch3oh.efp
- share/libefp/fraglib/ch4.efp
- share/libefp/fraglib/cl2.efp
- share/libefp/fraglib/cyclopentane.efp
- share/libefp/fraglib/dcm.efp
- share/libefp/fraglib/dmso.efp
- share/libefp/fraglib/ethane.efp
- share/libefp/fraglib/ethene.efp
- share/libefp/fraglib/ethyne.efp
- share/libefp/fraglib/formamide.efp
- share/libefp/fraglib/formicacid.efp
- share/libefp/fraglib/h2.efp
- share/libefp/fraglib/h2o.efp
- share/libefp/fraglib/h2o_reduced.efp
- share/libefp/fraglib/hydrogencyanide.efp
- share/libefp/fraglib/indole.efp
- share/libefp/fraglib/methane.efp
- share/libefp/fraglib/methanol.efp
- share/libefp/fraglib/methylamine.efp
- share/libefp/fraglib/neopentane.efp
- share/libefp/fraglib/nh3.efp
- share/libefp/fraglib/nmethylacetamide.efp
- share/libefp/fraglib/oxalicb.efp
- share/libefp/fraglib/pentacene.efp
- share/libefp/fraglib/pentane.efp
- share/libefp/fraglib/phenol.efp
- share/libefp/fraglib/pyrazine.efp
- share/libefp/fraglib/pyridine.efp
- share/libefp/fraglib/pyridone.efp
- share/libefp/fraglib/tetracene.efp
- share/libefp/fraglib/thymine-stack.efp
- share/libefp/fraglib/thymine-wc.efp
- share/libefp/fraglib/uracil-gp.efp
- share/libefp/fraglib/uracil.efp
- share/libefp/fraglib/water.efp
- share/libefp/fraglib/xxii_exp_n2_1.efp
- share/libefp/fraglib/xxii_exp_n2_2.efp
- share/libefp/makefp.inp
distinfo 1
| File | Size | SHA256 |
|---|---|---|
| libefp2-libefp-1.8.0_GH0.tar.gz | 4.2291482e+07 | 49ba24d662ac64080f47b139e05392a7c864254c9bc5f98d609a0e512cc7a2b7 |